(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

C30H43ClN2O3 — CID 164811199

IUPAC(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
SMILESC[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2C[C@H](c3ccc(Cl)cc3)CC2=O)C2(CCCC2)C1
InChIInChI=1S/C30H43ClN2O3/c1-22(17-23-7-3-2-4-8-23)28(35)32-16-15-30(36,29(20-32)13-5-6-14-29)21-33-19-25(18-27(33)34)24-9-11-26(31)12-10-24/h9-12,22-23,25,36H,2-8,13-21H2,1H3/t22-,25-,30-/m1/s1
InChIKeyKYTNGDBSGLPDPS-NIQGLAOKSA-N
MW515.14 g/mol
LogP5.79
Rot. Bonds6

About (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

(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 (PubChem CID 164811199) has the molecular formula C30H43ClN2O3 and a molecular weight of 515.14 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID164811199
Molecular FormulaC30H43ClN2O3
Molecular Weight515.14 g/mol
Exact Mass514.30
IUPAC Name(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
SMILESC[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2C[C@H](c3ccc(Cl)cc3)CC2=O)C2(CCCC2)C1
InChIInChI=1S/C30H43ClN2O3/c1-22(17-23-7-3-2-4-8-23)28(35)32-16-15-30(36,29(20-32)13-5-6-14-29)21-33-19-25(18-27(33)34)24-9-11-26(31)12-10-24/h9-12,22-23,25,36H,2-8,13-21H2,1H3/t22-,25-,30-/m1/s1
InChIKeyKYTNGDBSGLPDPS-NIQGLAOKSA-N
XLogP5.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.14
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(CN2C[C@H](c3ccc(Cl)cc3)CC2=O)C2(CCCC2)C1.
What is the InChIKey of (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?
The InChIKey is KYTNGDBSGLPDPS-NIQGLAOKSA-N. The full InChI is InChI=1S/C30H43ClN2O3/c1-22(17-23-7-3-2-4-8-23)28(35)32-16-15-30(36,29(20-32)13-5-6-14-29)21-33-19-25(18-27(33)34)24-9-11-26(31)12-10-24/h9-12,22-23,25,36H,2-8,13-21H2,1H3/t22-,25-,30-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 515.14 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 164811199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).