(2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide

C24H34ClN3O2 — CID 93221895

IUPAC(2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
SMILESO=C(Nc1cccc(Cl)c1)[C@@H](C1CCCC1)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C24H34ClN3O2/c25-20-11-6-12-21(17-20)26-23(29)22(18-7-4-5-8-18)27-13-15-28(16-14-27)24(30)19-9-2-1-3-10-19/h6,11-12,17-19,22H,1-5,7-10,13-16H2,(H,26,29)/t22-/m1/s1
InChIKeyWDSYKZCFEDAQKB-JOCHJYFZSA-N
MW432.01 g/mol
LogP4.56
Rot. Bonds5

About (2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide

(2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide (PubChem CID 93221895) has the molecular formula C24H34ClN3O2 and a molecular weight of 432.01 g/mol. Its IUPAC name is (2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide.

Molecular Properties

Compound Name(2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
PubChem CID93221895
Molecular FormulaC24H34ClN3O2
Molecular Weight432.01 g/mol
Exact Mass431.23
IUPAC Name(2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
SMILESO=C(Nc1cccc(Cl)c1)[C@@H](C1CCCC1)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C24H34ClN3O2/c25-20-11-6-12-21(17-20)26-23(29)22(18-7-4-5-8-18)27-13-15-28(16-14-27)24(30)19-9-2-1-3-10-19/h6,11-12,17-19,22H,1-5,7-10,13-16H2,(H,26,29)/t22-/m1/s1
InChIKeyWDSYKZCFEDAQKB-JOCHJYFZSA-N
XLogP4.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.01
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93221645
(2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 93222066
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46027494
N-(3-chlorophenyl)-4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 46027273
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
CID 42843618
(2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 93221893
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide
CID 46027501
(2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 93222037
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 46027562
1-(3-chlorophenyl)-3-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]urea
CID 1056361
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide
CID 42843656
N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 93221455

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide?
The IUPAC name of (2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide (CID 93221895) is (2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide.
What is the SMILES notation for (2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide?
The canonical SMILES for (2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide is O=C(Nc1cccc(Cl)c1)[C@@H](C1CCCC1)N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of (2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide?
The InChIKey is WDSYKZCFEDAQKB-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H34ClN3O2/c25-20-11-6-12-21(17-20)26-23(29)22(18-7-4-5-8-18)27-13-15-28(16-14-27)24(30)19-9-2-1-3-10-19/h6,11-12,17-19,22H,1-5,7-10,13-16H2,(H,26,29)/t22-/m1/s1.
What are the key properties of (2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide?
(2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide has a molecular weight of 432.01 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide is sourced from PubChem (CID 93221895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).