(2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide

C26H32ClN3O2 — CID 93221893

IUPAC(2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
SMILESCCc1ccc(C(=O)N2CCN([C@H](C(=O)Nc3cccc(Cl)c3)C3CCCC3)CC2)cc1
InChIInChI=1S/C26H32ClN3O2/c1-2-19-10-12-21(13-11-19)26(32)30-16-14-29(15-17-30)24(20-6-3-4-7-20)25(31)28-23-9-5-8-22(27)18-23/h5,8-13,18,20,24H,2-4,6-7,14-17H2,1H3,(H,28,31)/t24-/m0/s1
InChIKeyQJIOWSWTTGDMFZ-DEOSSOPVSA-N
MW454.01 g/mol
LogP4.86
Rot. Bonds6

About (2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide

(2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 93221893) has the molecular formula C26H32ClN3O2 and a molecular weight of 454.01 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
PubChem CID93221893
Molecular FormulaC26H32ClN3O2
Molecular Weight454.01 g/mol
Exact Mass453.22
IUPAC Name(2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
SMILESCCc1ccc(C(=O)N2CCN([C@H](C(=O)Nc3cccc(Cl)c3)C3CCCC3)CC2)cc1
InChIInChI=1S/C26H32ClN3O2/c1-2-19-10-12-21(13-11-19)26(32)30-16-14-29(15-17-30)24(20-6-3-4-7-20)25(31)28-23-9-5-8-22(27)18-23/h5,8-13,18,20,24H,2-4,6-7,14-17H2,1H3,(H,28,31)/t24-/m0/s1
InChIKeyQJIOWSWTTGDMFZ-DEOSSOPVSA-N
XLogP4.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.01
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46027571
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46027494
2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 42843657
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide
CID 46027501
(2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93221895
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 46027562
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide
CID 93221756
(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 93222056
2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 42842420
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-ethylacetamide
CID 46024727
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
CID 42843618
(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93222108

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide (CID 93221893) is (2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide is CCc1ccc(C(=O)N2CCN([C@H](C(=O)Nc3cccc(Cl)c3)C3CCCC3)CC2)cc1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is QJIOWSWTTGDMFZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H32ClN3O2/c1-2-19-10-12-21(13-11-19)26(32)30-16-14-29(15-17-30)24(20-6-3-4-7-20)25(31)28-23-9-5-8-22(27)18-23/h5,8-13,18,20,24H,2-4,6-7,14-17H2,1H3,(H,28,31)/t24-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide?
(2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 454.01 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 93221893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).