(2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C22H20ClN3O — CID 68801528

IUPAC(2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1Cl)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H20ClN3O/c23-20-16-18(17-6-2-1-3-7-17)9-10-19(20)22(27)26-14-12-25(13-15-26)21-8-4-5-11-24-21/h1-11,16H,12-15H2
InChIKeySZCNKSVZLGJAKV-UHFFFAOYSA-N
MW377.88 g/mol
LogP4.36
Rot. Bonds3

About (2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 68801528) has the molecular formula C22H20ClN3O and a molecular weight of 377.88 g/mol. Its IUPAC name is (2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID68801528
Molecular FormulaC22H20ClN3O
Molecular Weight377.88 g/mol
Exact Mass377.13
IUPAC Name(2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1Cl)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H20ClN3O/c23-20-16-18(17-6-2-1-3-7-17)9-10-19(20)22(27)26-14-12-25(13-15-26)21-8-4-5-11-24-21/h1-11,16H,12-15H2
InChIKeySZCNKSVZLGJAKV-UHFFFAOYSA-N
XLogP4.36
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 885844
(5-phenyl-2-pyridinyl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone
CID 167843840
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
(3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 131917647
(2-chloro-4-fluorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 91904740
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
(4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854869
(2-chloro-4,5-difluorophenyl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537354
(3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110414643
(5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110390914
(4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950861

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 68801528) is (2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(-c2ccccc2)cc1Cl)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is SZCNKSVZLGJAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O/c23-20-16-18(17-6-2-1-3-7-17)9-10-19(20)22(27)26-14-12-25(13-15-26)21-8-4-5-11-24-21/h1-11,16H,12-15H2.
What are the key properties of (2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 377.88 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 68801528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).