8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C29H44N4O5S — CID 130200493

IUPAC8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCC(S(C)(=O)=O)CC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C29H44N4O5S/c1-30(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/h4-6,8-9,24,36H,7,10-22H2,1-3H3
InChIKeyVIUFXOAYKWUCRY-UHFFFAOYSA-N
MW560.76 g/mol
LogP2.44
Rot. Bonds7

About 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-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 (PubChem CID 130200493) has the molecular formula C29H44N4O5S and a molecular weight of 560.76 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200493
Molecular FormulaC29H44N4O5S
Molecular Weight560.76 g/mol
Exact Mass560.30
IUPAC Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCC(S(C)(=O)=O)CC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C29H44N4O5S/c1-30(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/h4-6,8-9,24,36H,7,10-22H2,1-3H3
InChIKeyVIUFXOAYKWUCRY-UHFFFAOYSA-N
XLogP2.44
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.76
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

US10793556, Example SC_4096
CID 130202980
CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonyl-ethyl)-acetamide
CID 130200468
CIS-1-(Cyclobutyl-methyl)-8-dimethylamino-3-[2-(1,1-dioxo-[1,4]thiazinan-4-yl)-2-oxo-ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130200519
US10807989, Example SC_1366
CID 130200623
US10793556, Example SC_4089
CID 130202939
US10793556, Example SC_4072
CID 130210895
US10738015, Example SC-6
CID 137407663
US10807989, Example SC_1370
CID 130200470
US10807989, Example SC_1368
CID 130200485
US10807989, Example SC_1215
CID 130200504
US10807989, Example SC_1326
CID 130200506
US10807989, Example SC_1318
CID 130200507

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200493) is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCC(S(C)(=O)=O)CC1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is VIUFXOAYKWUCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N4O5S/c1-30(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/h4-6,8-9,24,36H,7,10-22H2,1-3H3.
What are the key properties of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-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 has a molecular weight of 560.76 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).