[4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone

C19H20ClN3O3 — CID 110814060

IUPAC[4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone
SMILESCOc1cc(C)c(C(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1Cl
InChIInChI=1S/C19H20ClN3O3/c1-13-11-17(26-2)15(20)12-14(13)18(24)22-7-9-23(10-8-22)19(25)16-5-3-4-6-21-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyNMKZIUJCIAACHR-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.65
Rot. Bonds3

About [4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone

[4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 110814060) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is [4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID110814060
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name[4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone
SMILESCOc1cc(C)c(C(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1Cl
InChIInChI=1S/C19H20ClN3O3/c1-13-11-17(26-2)15(20)12-14(13)18(24)22-7-9-23(10-8-22)19(25)16-5-3-4-6-21-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyNMKZIUJCIAACHR-UHFFFAOYSA-N
XLogP2.65
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone 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

(5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110762112
pyridin-2-yl-[4-(2,4,5-trimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110816030
(2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814077
(2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816009
(3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814057
[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 9021288
2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 38785944
[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 110814097
(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 108534823
[4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803086
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 110802816
(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
CID 79018159

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone (CID 110814060) is [4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone is COc1cc(C)c(C(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1Cl.
What is the InChIKey of [4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is NMKZIUJCIAACHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-13-11-17(26-2)15(20)12-14(13)18(24)22-7-9-23(10-8-22)19(25)16-5-3-4-6-21-16/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of [4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone?
[4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 373.84 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 110814060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).