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

C17H18ClN3O — CID 885844

IUPAC(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccccn3)CC2)c(Cl)c1
InChIInChI=1S/C17H18ClN3O/c1-13-5-6-14(15(18)12-13)17(22)21-10-8-20(9-11-21)16-4-2-3-7-19-16/h2-7,12H,8-11H2,1H3
InChIKeyFTAYMQWTORXEJX-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.01
Rot. Bonds2

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

(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 885844) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID885844
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccccn3)CC2)c(Cl)c1
InChIInChI=1S/C17H18ClN3O/c1-13-5-6-14(15(18)12-13)17(22)21-10-8-20(9-11-21)16-4-2-3-7-19-16/h2-7,12H,8-11H2,1H3
InChIKeyFTAYMQWTORXEJX-UHFFFAOYSA-N
XLogP3.01
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-chloro-4-methylphenyl)-(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

(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
(2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 68801528
(3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 17250311
(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 801097
(2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 100520261
(3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110414643
(3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 131917647
7-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one
CID 175651576
(1,5-dimethylpyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 44757097
(4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854869
(1-tert-butyl-5-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56814034
(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51143726

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 885844) is (2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FTAYMQWTORXEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-13-5-6-14(15(18)12-13)17(22)21-10-8-20(9-11-21)16-4-2-3-7-19-16/h2-7,12H,8-11H2,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 315.80 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 885844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).