N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclopentanecarboxamide

C24H35ClN2O3 — CID 25206951

IUPACN-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(C)(CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)C1CCCC1
InChIInChI=1S/C24H35ClN2O3/c1-22(2)16-27(14-13-24(22,30)18-9-11-19(25)12-10-18)20(28)15-23(3,4)26-21(29)17-7-5-6-8-17/h9-12,17,30H,5-8,13-16H2,1-4H3,(H,26,29)/t24-/m0/s1
InChIKeyCPXZIWCTONHKMZ-DEOSSOPVSA-N
MW435.01 g/mol
LogP4.26
Rot. Bonds5

About N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclopentanecarboxamide

N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 25206951) has the molecular formula C24H35ClN2O3 and a molecular weight of 435.01 g/mol. Its IUPAC name is N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID25206951
Molecular FormulaC24H35ClN2O3
Molecular Weight435.01 g/mol
Exact Mass434.23
IUPAC NameN-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(C)(CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)C1CCCC1
InChIInChI=1S/C24H35ClN2O3/c1-22(2)16-27(14-13-24(22,30)18-9-11-19(25)12-10-18)20(28)15-23(3,4)26-21(29)17-7-5-6-8-17/h9-12,17,30H,5-8,13-16H2,1-4H3,(H,26,29)/t24-/m0/s1
InChIKeyCPXZIWCTONHKMZ-DEOSSOPVSA-N
XLogP4.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.01
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 9805944
CID 9805944
CID 44537841
CID 44537841
CID 57889327
CID 57889327
CID 57889181
CID 57889181
CID 57888919
CID 57888919
CID 57889003
CID 57889003
CID 57889423
CID 57889423
CID 2809533
CID 2809533
CID 46885711
CID 46885711
CID 46885973
CID 46885973
CID 57888746
CID 57888746
CID 57888785
CID 57888785

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclopentanecarboxamide (CID 25206951) is N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclopentanecarboxamide is CC(C)(CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)C1CCCC1.
What is the InChIKey of N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is CPXZIWCTONHKMZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H35ClN2O3/c1-22(2)16-27(14-13-24(22,30)18-9-11-19(25)12-10-18)20(28)15-23(3,4)26-21(29)17-7-5-6-8-17/h9-12,17,30H,5-8,13-16H2,1-4H3,(H,26,29)/t24-/m0/s1.
What are the key properties of N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclopentanecarboxamide?
N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 435.01 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 25206951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).