N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide

C162H241F2N25O21S — CID 160846685

IUPACN-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide
SMILESCN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(CC(=O)CCCO)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCO)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCC(C(N)=O)CC1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCC(S(C)(=O)=O)CC1)C(=O)N2CC1(O)CCC1.CN(CC(N)=O)C(=O)CN1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)N(CC2CCC2)C1=O.CN(CC(N)=O)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C29H43N5O4.C29H44N4O5S.C26H38FN5O3.C26H38FN3O3.C26H39N5O3.C26H39N3O3/c1-31(2)29(23-7-4-3-5-8-23)15-13-27(14-16-29)20-33(26(37)34(27)21-28(38)11-6-12-28)19-24(35)32-17-9-22(10-18-32)25(30)36;1-30(2)29(23-8-5-4-6-9-23)16-14-27(15-17-29)21-32(26(35)33(27)22-28(36)12-7-13-28)20-25(34)31-18-10-24(11-19-31)39(3,37)38;1-29(2)26(20-8-5-9-21(27)14-20)12-10-25(11-13-26)18-31(17-23(34)30(3)16-22(28)33)24(35)32(25)15-19-6-4-7-19;1-28(2)26(21-8-4-9-22(27)16-21)13-11-25(12-14-26)19-29(18-23(32)10-5-15-31)24(33)30(25)17-20-6-3-7-20;1-28(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(18-23(33)29(3)17-22(27)32)24(34)31(25)16-20-8-7-9-20;1-27(2)26(22-10-4-3-5-11-22)15-13-25(14-16-26)20-28(19-23(31)12-7-17-30)24(32)29(25)18-21-8-6-9-21/h3-5,7-8,22,38H,6,9-21H2,1-2H3,(H2,30,36);4-6,8-9,24,36H,7,10-22H2,1-3H3;5,8-9,14,19H,4,6-7,10-13,15-18H2,1-3H3,(H2,28,33);4,8-9,16,20,31H,3,5-7,10-15,17-19H2,1-2H3;4-6,10-11,20H,7-9,12-19H2,1-3H3,(H2,27,32);3-5,10-11,21,30H,6-9,12-20H2,1-2H3
InChIKeySISPDWGNPRXEGB-UHFFFAOYSA-N
MW2944.93 g/mol
LogP16.60
Rot. Bonds48

About N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide

N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide (PubChem CID 160846685) has the molecular formula C162H241F2N25O21S and a molecular weight of 2944.93 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide
PubChem CID160846685
Molecular FormulaC162H241F2N25O21S
Molecular Weight2944.93 g/mol
Exact Mass2942.82
IUPAC NameN-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide
SMILESCN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(CC(=O)CCCO)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCO)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCC(C(N)=O)CC1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCC(S(C)(=O)=O)CC1)C(=O)N2CC1(O)CCC1.CN(CC(N)=O)C(=O)CN1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)N(CC2CCC2)C1=O.CN(CC(N)=O)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C29H43N5O4.C29H44N4O5S.C26H38FN5O3.C26H38FN3O3.C26H39N5O3.C26H39N3O3/c1-31(2)29(23-7-4-3-5-8-23)15-13-27(14-16-29)20-33(26(37)34(27)21-28(38)11-6-12-28)19-24(35)32-17-9-22(10-18-32)25(30)36;1-30(2)29(23-8-5-4-6-9-23)16-14-27(15-17-29)21-32(26(35)33(27)22-28(36)12-7-13-28)20-25(34)31-18-10-24(11-19-31)39(3,37)38;1-29(2)26(20-8-5-9-21(27)14-20)12-10-25(11-13-26)18-31(17-23(34)30(3)16-22(28)33)24(35)32(25)15-19-6-4-7-19;1-28(2)26(21-8-4-9-22(27)16-21)13-11-25(12-14-26)19-29(18-23(32)10-5-15-31)24(33)30(25)17-20-6-3-7-20;1-28(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(18-23(33)29(3)17-22(27)32)24(34)31(25)16-20-8-7-9-20;1-27(2)26(22-10-4-3-5-11-22)15-13-25(14-16-26)20-28(19-23(31)12-7-17-30)24(32)29(25)18-21-8-6-9-21/h3-5,7-8,22,38H,6,9-21H2,1-2H3,(H2,30,36);4-6,8-9,24,36H,7,10-22H2,1-3H3;5,8-9,14,19H,4,6-7,10-13,15-18H2,1-3H3,(H2,28,33);4,8-9,16,20,31H,3,5-7,10-15,17-19H2,1-2H3;4-6,10-11,20H,7-9,12-19H2,1-3H3,(H2,27,32);3-5,10-11,21,30H,6-9,12-20H2,1-2H3
InChIKeySISPDWGNPRXEGB-UHFFFAOYSA-N
XLogP16.60
TPSA520.45 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds48
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002944.93
LogP ≤ 516.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Analyze N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 159505179
1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one
CID 158263194
1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 158020054
1-(cyclobutylmethyl)-3-[2-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-oxoethyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201227
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 130200463
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 157157133
2-[[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]amino]-2-methylpropanamide
CID 130200569
1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile
CID 157220490
N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide;2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N,2,2-trimethyl-4-oxopentanamide;2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide;5-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methylsulfonyl-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 6-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyridine-3-carboxylate
CID 160555602
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methylsulfanyl-2-pyridinyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;bis(3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(ethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide;2-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 160796016
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-fluoropyrimidin-4-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 162160029
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 130200593

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide (CID 160846685) is N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide is CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(CC(=O)CCCO)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCCO)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCC(C(N)=O)CC1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCC(S(C)(=O)=O)CC1)C(=O)N2CC1(O)CCC1.CN(CC(N)=O)C(=O)CN1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)N(CC2CCC2)C1=O.CN(CC(N)=O)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is SISPDWGNPRXEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N5O4.C29H44N4O5S.C26H38FN5O3.C26H38FN3O3.C26H39N5O3.C26H39N3O3/c1-31(2)29(23-7-4-3-5-8-23)15-13-27(14-16-29)20-33(26(37)34(27)21-28(38)11-6-12-28)19-24(35)32-17-9-22(10-18-32)25(30)36;1-30(2)29(23-8-5-4-6-9-23)16-14-27(15-17-29)21-32(26(35)33(27)22-28(36)12-7-13-28)20-25(34)31-18-10-24(11-19-31)39(3,37)38;1-29(2)26(20-8-5-9-21(27)14-20)12-10-25(11-13-26)18-31(17-23(34)30(3)16-22(28)33)24(35)32(25)15-19-6-4-7-19;1-28(2)26(21-8-4-9-22(27)16-21)13-11-25(12-14-26)19-29(18-23(32)10-5-15-31)24(33)30(25)17-20-6-3-7-20;1-28(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(18-23(33)29(3)17-22(27)32)24(34)31(25)16-20-8-7-9-20;1-27(2)26(22-10-4-3-5-11-22)15-13-25(14-16-26)20-28(19-23(31)12-7-17-30)24(32)29(25)18-21-8-6-9-21/h3-5,7-8,22,38H,6,9-21H2,1-2H3,(H2,30,36);4-6,8-9,24,36H,7,10-22H2,1-3H3;5,8-9,14,19H,4,6-7,10-13,15-18H2,1-3H3,(H2,28,33);4,8-9,16,20,31H,3,5-7,10-15,17-19H2,1-2H3;4-6,10-11,20H,7-9,12-19H2,1-3H3,(H2,27,32);3-5,10-11,21,30H,6-9,12-20H2,1-2H3.
What are the key properties of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide?
N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 2944.93 g/mol, XLogP of 16.60, 48 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 160846685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).