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

C27H34ClN3O2 — CID 46027501

IUPACN-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide
SMILESCCC(C(=O)N1CCN(C(C(=O)Nc2cccc(Cl)c2)C2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C27H34ClN3O2/c1-2-24(20-9-4-3-5-10-20)27(33)31-17-15-30(16-18-31)25(21-11-6-7-12-21)26(32)29-23-14-8-13-22(28)19-23/h3-5,8-10,13-14,19,21,24-25H,2,6-7,11-12,15-18H2,1H3,(H,29,32)
InChIKeyDBXMEHXHYFNOLV-UHFFFAOYSA-N
MW468.04 g/mol
LogP5.18
Rot. Bonds7

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

N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide (PubChem CID 46027501) has the molecular formula C27H34ClN3O2 and a molecular weight of 468.04 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide
PubChem CID46027501
Molecular FormulaC27H34ClN3O2
Molecular Weight468.04 g/mol
Exact Mass467.23
IUPAC NameN-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide
SMILESCCC(C(=O)N1CCN(C(C(=O)Nc2cccc(Cl)c2)C2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C27H34ClN3O2/c1-2-24(20-9-4-3-5-10-20)27(33)31-17-15-30(16-18-31)25(21-11-6-7-12-21)26(32)29-23-14-8-13-22(28)19-23/h3-5,8-10,13-14,19,21,24-25H,2,6-7,11-12,15-18H2,1H3,(H,29,32)
InChIKeyDBXMEHXHYFNOLV-UHFFFAOYSA-N
XLogP5.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.04
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 93221893
(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
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
N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 93221455
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
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 46027562
2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 42843600

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide (CID 46027501) is N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide is CCC(C(=O)N1CCN(C(C(=O)Nc2cccc(Cl)c2)C2CCCC2)CC1)c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide?
The InChIKey is DBXMEHXHYFNOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN3O2/c1-2-24(20-9-4-3-5-10-20)27(33)31-17-15-30(16-18-31)25(21-11-6-7-12-21)26(32)29-23-14-8-13-22(28)19-23/h3-5,8-10,13-14,19,21,24-25H,2,6-7,11-12,15-18H2,1H3,(H,29,32).
What are the key properties of N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide?
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide has a molecular weight of 468.04 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46027501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).