2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide

C27H34ClN3O2 — CID 46027562

IUPAC2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)C(C2CCCC2)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C27H34ClN3O2/c1-19(2)20-10-12-24(13-11-20)29-26(32)25(21-6-3-4-7-21)30-14-16-31(17-15-30)27(33)22-8-5-9-23(28)18-22/h5,8-13,18-19,21,25H,3-4,6-7,14-17H2,1-2H3,(H,29,32)
InChIKeyMSRUFWRSPKNIOD-UHFFFAOYSA-N
MW468.04 g/mol
LogP5.42
Rot. Bonds6

About 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide

2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 46027562) has the molecular formula C27H34ClN3O2 and a molecular weight of 468.04 g/mol. Its IUPAC name is 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
PubChem CID46027562
Molecular FormulaC27H34ClN3O2
Molecular Weight468.04 g/mol
Exact Mass467.23
IUPAC Name2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)C(C2CCCC2)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C27H34ClN3O2/c1-19(2)20-10-12-24(13-11-20)29-26(32)25(21-6-3-4-7-21)30-14-16-31(17-15-30)27(33)22-8-5-9-23(28)18-22/h5,8-13,18-19,21,25H,3-4,6-7,14-17H2,1-2H3,(H,29,32)
InChIKeyMSRUFWRSPKNIOD-UHFFFAOYSA-N
XLogP5.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.04
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide with MolForge

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Related Compounds

(2R)-2-cyclopentyl-2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 93222019
2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46027571
(2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 93221893
(2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide
CID 93210326
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide
CID 42842805
(2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93221895
(2R)-2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(4-fluorophenyl)acetamide
CID 93221614
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46027646
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46027494
(2S)-2-cyclopentyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 93222013
2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46027567
(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 93222056

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide (CID 46027562) is 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)C(C2CCCC2)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is MSRUFWRSPKNIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN3O2/c1-19(2)20-10-12-24(13-11-20)29-26(32)25(21-6-3-4-7-21)30-14-16-31(17-15-30)27(33)22-8-5-9-23(28)18-22/h5,8-13,18-19,21,25H,3-4,6-7,14-17H2,1-2H3,(H,29,32).
What are the key properties of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide?
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 468.04 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 46027562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).