(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide

C26H32ClN3O4 — CID 93222056

IUPAC(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OC
InChIInChI=1S/C26H32ClN3O4/c1-33-22-12-11-21(17-23(22)34-2)28-25(31)24(18-5-3-4-6-18)29-13-15-30(16-14-29)26(32)19-7-9-20(27)10-8-19/h7-12,17-18,24H,3-6,13-16H2,1-2H3,(H,28,31)/t24-/m0/s1
InChIKeyATOZAHCPRRRLGR-DEOSSOPVSA-N
MW486.01 g/mol
LogP4.31
Rot. Bonds7

About (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide

(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 93222056) has the molecular formula C26H32ClN3O4 and a molecular weight of 486.01 g/mol. Its IUPAC name is (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID93222056
Molecular FormulaC26H32ClN3O4
Molecular Weight486.01 g/mol
Exact Mass485.21
IUPAC Name(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OC
InChIInChI=1S/C26H32ClN3O4/c1-33-22-12-11-21(17-23(22)34-2)28-25(31)24(18-5-3-4-6-18)29-13-15-30(16-14-29)26(32)19-7-9-20(27)10-8-19/h7-12,17-18,24H,3-6,13-16H2,1-2H3,(H,28,31)/t24-/m0/s1
InChIKeyATOZAHCPRRRLGR-DEOSSOPVSA-N
XLogP4.31
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.01
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 42843651
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 46027650
(2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 93222037
(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93222108
N-(1,3-benzodioxol-5-yl)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 46027619
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-ethylacetamide
CID 46024727
2-cyclopentyl-N-(4-fluorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 46027386
(2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 93222166
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide
CID 46027506
2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 42842766
2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 42842307
(2R)-2-cyclopentyl-N-(3,5-dimethoxyphenyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93221901

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide (CID 93222056) is (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OC.
What is the InChIKey of (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is ATOZAHCPRRRLGR-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H32ClN3O4/c1-33-22-12-11-21(17-23(22)34-2)28-25(31)24(18-5-3-4-6-18)29-13-15-30(16-14-29)26(32)19-7-9-20(27)10-8-19/h7-12,17-18,24H,3-6,13-16H2,1-2H3,(H,28,31)/t24-/m0/s1.
What are the key properties of (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide?
(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 486.01 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 93222056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).