(4-chlorophenyl)-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]methanone

C23H25ClN2O2 — CID 55583894

IUPAC(4-chlorophenyl)-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H25ClN2O2/c24-18-11-9-17(10-12-18)22(27)20-7-3-4-8-21(20)23(28)26-15-13-25(14-16-26)19-5-1-2-6-19/h3-4,7-12,19H,1-2,5-6,13-16H2
InChIKeyKSKILINKXXRCJR-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.27
Rot. Bonds4

About (4-chlorophenyl)-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]methanone

(4-chlorophenyl)-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]methanone (PubChem CID 55583894) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]methanone
PubChem CID55583894
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name(4-chlorophenyl)-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H25ClN2O2/c24-18-11-9-17(10-12-18)22(27)20-7-3-4-8-21(20)23(28)26-15-13-25(14-16-26)19-5-1-2-6-19/h3-4,7-12,19H,1-2,5-6,13-16H2
InChIKeyKSKILINKXXRCJR-UHFFFAOYSA-N
XLogP4.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
(4-chlorophenyl)-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]methanone
CID 78842575
(4-chlorophenyl)-(4-cyclobutyl-1,4-diazepan-1-yl)methanone;hydrochloride
CID 162320465
(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone
CID 60735523
(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone
CID 62368670
(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119946429
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
[2-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19325537
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
(4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone
CID 19572522
(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 55584193
[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone
CID 19329456

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]methanone (CID 55583894) is (4-chlorophenyl)-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]methanone is O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-chlorophenyl)-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]methanone?
The InChIKey is KSKILINKXXRCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c24-18-11-9-17(10-12-18)22(27)20-7-3-4-8-21(20)23(28)26-15-13-25(14-16-26)19-5-1-2-6-19/h3-4,7-12,19H,1-2,5-6,13-16H2.
What are the key properties of (4-chlorophenyl)-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]methanone?
(4-chlorophenyl)-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]methanone has a molecular weight of 396.92 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]methanone is sourced from PubChem (CID 55583894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).