N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide

C24H35ClN4O2 — CID 93221455

IUPACN-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
SMILESCC1CCN(C(=O)[C@@H](C2CCCC2)N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C24H35ClN4O2/c1-18-9-11-28(12-10-18)23(30)22(19-5-2-3-6-19)27-13-15-29(16-14-27)24(31)26-21-8-4-7-20(25)17-21/h4,7-8,17-19,22H,2-3,5-6,9-16H2,1H3,(H,26,31)/t22-/m1/s1
InChIKeyBIDKTLMNYPYWOD-JOCHJYFZSA-N
MW447.02 g/mol
LogP4.31
Rot. Bonds4

About N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide

N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide (PubChem CID 93221455) has the molecular formula C24H35ClN4O2 and a molecular weight of 447.02 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
PubChem CID93221455
Molecular FormulaC24H35ClN4O2
Molecular Weight447.02 g/mol
Exact Mass446.24
IUPAC NameN-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
SMILESCC1CCN(C(=O)[C@@H](C2CCCC2)N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C24H35ClN4O2/c1-18-9-11-28(12-10-18)23(30)22(19-5-2-3-6-19)27-13-15-29(16-14-27)24(31)26-21-8-4-7-20(25)17-21/h4,7-8,17-19,22H,2-3,5-6,9-16H2,1H3,(H,26,31)/t22-/m1/s1
InChIKeyBIDKTLMNYPYWOD-JOCHJYFZSA-N
XLogP4.31
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.02
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-(3-chlorophenyl)-4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 46027273
4-[(1S)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221460
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-(3-chlorophenyl)-4-[(1S)-1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 93221406
N-(3-chlorophenyl)-4-[1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 46027296
4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221443
4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221394
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide
CID 46027501
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
(2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93221895
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46027494

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide (CID 93221455) is N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide is CC1CCN(C(=O)[C@@H](C2CCCC2)N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide?
The InChIKey is BIDKTLMNYPYWOD-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H35ClN4O2/c1-18-9-11-28(12-10-18)23(30)22(19-5-2-3-6-19)27-13-15-29(16-14-27)24(31)26-21-8-4-7-20(25)17-21/h4,7-8,17-19,22H,2-3,5-6,9-16H2,1H3,(H,26,31)/t22-/m1/s1.
What are the key properties of N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide has a molecular weight of 447.02 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide is sourced from PubChem (CID 93221455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).