(2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide

C23H34ClN3O — CID 92653700

IUPAC(2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide
SMILESO=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C23H34ClN3O/c24-19-12-10-18(11-13-19)22(23(28)25-20-6-4-5-7-20)27-16-14-26(15-17-27)21-8-2-1-3-9-21/h10-13,20-22H,1-9,14-17H2,(H,25,28)/t22-/m0/s1
InChIKeyRHGCQWPTVAGFDS-QFIPXVFZSA-N
MW404.00 g/mol
LogP4.39
Rot. Bonds5

About (2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide

(2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide (PubChem CID 92653700) has the molecular formula C23H34ClN3O and a molecular weight of 404.00 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide
PubChem CID92653700
Molecular FormulaC23H34ClN3O
Molecular Weight404.00 g/mol
Exact Mass403.24
IUPAC Name(2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide
SMILESO=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C23H34ClN3O/c24-19-12-10-18(11-13-19)22(23(28)25-20-6-4-5-7-20)27-16-14-26(15-17-27)21-8-2-1-3-9-21/h10-13,20-22H,1-9,14-17H2,(H,25,28)/t22-/m0/s1
InChIKeyRHGCQWPTVAGFDS-QFIPXVFZSA-N
XLogP4.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.00
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide
CID 4177946
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-yl)acetamide
CID 94778986
(2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 93156034
(2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 94778907
(2R)-N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 94778949
(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 94797745
N-cyclohexyl-2-(4-methoxyphenyl)-2-piperidin-1-ylacetamide
CID 4586625
methyl (2R)-1-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 93011501
[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium
CID 4206046
N-(1-cycloheptylpyrrolidin-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56575838
2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
CID 60631278
1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea
CID 126774275

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide (CID 92653700) is (2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide is O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide?
The InChIKey is RHGCQWPTVAGFDS-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H34ClN3O/c24-19-12-10-18(11-13-19)22(23(28)25-20-6-4-5-7-20)27-16-14-26(15-17-27)21-8-2-1-3-9-21/h10-13,20-22H,1-9,14-17H2,(H,25,28)/t22-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide?
(2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide has a molecular weight of 404.00 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide is sourced from PubChem (CID 92653700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).