1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate

C109H142N18O8 — CID 162186238

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1)C(=O)N2CC1CCC1.COC(=O)c1cc(C)c(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1.COc1cnc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1.COc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1
InChIInChI=1S/C29H38N4O3.C28H34N4O.2C26H35N5O2/c1-21-17-24(26(34)36-4)30-18-25(21)32-20-28(33(27(32)35)19-22-9-8-10-22)13-15-29(16-14-28,31(2)3)23-11-6-5-7-12-23;1-30(2)28(24-9-4-3-5-10-24)17-15-27(16-18-28)21-31(25-13-11-22(19-29)12-14-25)26(33)32(27)20-23-7-6-8-23;1-29(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(22-16-28-23(33-3)17-27-22)24(32)31(25)18-20-8-7-9-20;1-29(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(22-16-27-23(33-3)28-17-22)24(32)31(25)18-20-8-7-9-20/h5-7,11-12,17-18,22H,8-10,13-16,19-20H2,1-4H3;3-5,9-14,23H,6-8,15-18,20-21H2,1-2H3;2*4-6,10-11,16-17,20H,7-9,12-15,18-19H2,1-3H3
InChIKeyZPRNSPALOYUICO-UHFFFAOYSA-N
MW1832.45 g/mol
LogP18.95
Rot. Bonds23

About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate

1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate (PubChem CID 162186238) has the molecular formula C109H142N18O8 and a molecular weight of 1832.45 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate
PubChem CID162186238
Molecular FormulaC109H142N18O8
Molecular Weight1832.45 g/mol
Exact Mass1831.13
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1)C(=O)N2CC1CCC1.COC(=O)c1cc(C)c(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1.COc1cnc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1.COc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1
InChIInChI=1S/C29H38N4O3.C28H34N4O.2C26H35N5O2/c1-21-17-24(26(34)36-4)30-18-25(21)32-20-28(33(27(32)35)19-22-9-8-10-22)13-15-29(16-14-28,31(2)3)23-11-6-5-7-12-23;1-30(2)28(24-9-4-3-5-10-24)17-15-27(16-18-28)21-31(25-13-11-22(19-29)12-14-25)26(33)32(27)20-23-7-6-8-23;1-29(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(22-16-28-23(33-3)17-27-22)24(32)31(25)18-20-8-7-9-20;1-29(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(22-16-27-23(33-3)28-17-22)24(32)31(25)18-20-8-7-9-20/h5-7,11-12,17-18,22H,8-10,13-16,19-20H2,1-4H3;3-5,9-14,23H,6-8,15-18,20-21H2,1-2H3;2*4-6,10-11,16-17,20H,7-9,12-15,18-19H2,1-3H3
InChIKeyZPRNSPALOYUICO-UHFFFAOYSA-N
XLogP18.95
TPSA240.16 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001832.45
LogP ≤ 518.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate (CID 162186238) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1)C(=O)N2CC1CCC1.COC(=O)c1cc(C)c(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1.COc1cnc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1.COc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)cn1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate?
The InChIKey is ZPRNSPALOYUICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O3.C28H34N4O.2C26H35N5O2/c1-21-17-24(26(34)36-4)30-18-25(21)32-20-28(33(27(32)35)19-22-9-8-10-22)13-15-29(16-14-28,31(2)3)23-11-6-5-7-12-23;1-30(2)28(24-9-4-3-5-10-24)17-15-27(16-18-28)21-31(25-13-11-22(19-29)12-14-25)26(33)32(27)20-23-7-6-8-23;1-29(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(22-16-28-23(33-3)17-27-22)24(32)31(25)18-20-8-7-9-20;1-29(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(22-16-27-23(33-3)28-17-22)24(32)31(25)18-20-8-7-9-20/h5-7,11-12,17-18,22H,8-10,13-16,19-20H2,1-4H3;3-5,9-14,23H,6-8,15-18,20-21H2,1-2H3;2*4-6,10-11,16-17,20H,7-9,12-15,18-19H2,1-3H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate has a molecular weight of 1832.45 g/mol, XLogP of 18.95, 23 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxypyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;methyl 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 162186238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).