(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone

C17H15Cl2N3O2 — CID 39565978

IUPAC(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H15Cl2N3O2/c18-14-4-3-12(10-15(14)19)16(23)21-6-8-22(9-7-21)17(24)13-2-1-5-20-11-13/h1-5,10-11H,6-9H2
InChIKeyKFPGJJVOXDUTEK-UHFFFAOYSA-N
MW364.23 g/mol
LogP2.99
Rot. Bonds2

About (3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone

(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 39565978) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
PubChem CID39565978
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Name(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H15Cl2N3O2/c18-14-4-3-12(10-15(14)19)16(23)21-6-8-22(9-7-21)17(24)13-2-1-5-20-11-13/h1-5,10-11H,6-9H2
InChIKeyKFPGJJVOXDUTEK-UHFFFAOYSA-N
XLogP2.99
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-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-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
(3,4-difluorophenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798837
(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 108533154
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 39565886
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113076863
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919
(4-methoxy-3-methylphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 110802881
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
1,3-benzodioxol-5-yl-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808446

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone (CID 39565978) is (3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone is O=C(c1cccnc1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is KFPGJJVOXDUTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c18-14-4-3-12(10-15(14)19)16(23)21-6-8-22(9-7-21)17(24)13-2-1-5-20-11-13/h1-5,10-11H,6-9H2.
What are the key properties of (3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 364.23 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 39565978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).