(4S)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-4-phenylpyrrolidin-2-one

C31H46N2O3 — CID 164811211

IUPAC(4S)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-4-phenylpyrrolidin-2-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2C[C@](C)(c3ccccc3)CC2=O)C2(CCCC2)C1
InChIInChI=1S/C31H46N2O3/c1-24(19-25-11-5-3-6-12-25)28(35)32-18-17-31(36,30(22-32)15-9-10-16-30)23-33-21-29(2,20-27(33)34)26-13-7-4-8-14-26/h4,7-8,13-14,24-25,36H,3,5-6,9-12,15-23H2,1-2H3/t24-,29-,31-/m1/s1
InChIKeyRCHFABFPBSXRDY-FGPAUOPCSA-N
MW494.72 g/mol
LogP5.31
Rot. Bonds6

About (4S)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-4-phenylpyrrolidin-2-one

(4S)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-4-phenylpyrrolidin-2-one (PubChem CID 164811211) has the molecular formula C31H46N2O3 and a molecular weight of 494.72 g/mol. Its IUPAC name is (4S)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-4-phenylpyrrolidin-2-one
PubChem CID164811211
Molecular FormulaC31H46N2O3
Molecular Weight494.72 g/mol
Exact Mass494.35
IUPAC Name(4S)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-4-phenylpyrrolidin-2-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2C[C@](C)(c3ccccc3)CC2=O)C2(CCCC2)C1
InChIInChI=1S/C31H46N2O3/c1-24(19-25-11-5-3-6-12-25)28(35)32-18-17-31(36,30(22-32)15-9-10-16-30)23-33-21-29(2,20-27(33)34)26-13-7-4-8-14-26/h4,7-8,13-14,24-25,36H,3,5-6,9-12,15-23H2,1-2H3/t24-,29-,31-/m1/s1
InChIKeyRCHFABFPBSXRDY-FGPAUOPCSA-N
XLogP5.31
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.72
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-4-phenylpyrrolidin-2-one with MolForge

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Related Compounds

(4S)-4-(4-chlorophenyl)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrrolidin-2-one
CID 164811199
(4S)-1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-phenylpyrrolidin-2-one
CID 139369775
2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide
CID 139375611
ethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate
CID 134209669
3-[[(10R)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4a,5,6,7-tetrahydropyrrolo[2,1-f][1,2,4]triazin-4-one
CID 164811223
2-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-7-fluoroisoquinolin-1-one
CID 139369978
[2-[1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-(dimethylcarbamoyl)-2-oxo-4-pyridinyl]phenyl]methylcarbamic acid
CID 134209828
1-[[(5S)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-5-hydroxy-9-oxa-2-azaspiro[5.5]undecan-5-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 166633395
3-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-phenylpyrimidin-4-one
CID 134209726
3-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-phenylpyrimidin-4-one
CID 134218547
3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6,7-difluoroquinazolin-4-one
CID 146670858
ethyl 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-6-oxopyridine-3-carboxylate
CID 134209622

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-4-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-4-phenylpyrrolidin-2-one (CID 164811211) is (4S)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-4-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-4-phenylpyrrolidin-2-one is C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2C[C@](C)(c3ccccc3)CC2=O)C2(CCCC2)C1.
What is the InChIKey of (4S)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-4-phenylpyrrolidin-2-one?
The InChIKey is RCHFABFPBSXRDY-FGPAUOPCSA-N. The full InChI is InChI=1S/C31H46N2O3/c1-24(19-25-11-5-3-6-12-25)28(35)32-18-17-31(36,30(22-32)15-9-10-16-30)23-33-21-29(2,20-27(33)34)26-13-7-4-8-14-26/h4,7-8,13-14,24-25,36H,3,5-6,9-12,15-23H2,1-2H3/t24-,29-,31-/m1/s1.
What are the key properties of (4S)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-4-phenylpyrrolidin-2-one?
(4S)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-4-phenylpyrrolidin-2-one has a molecular weight of 494.72 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 164811211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).