N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide

C16H16Cl2N4O — CID 21037674

IUPACN-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C16H16Cl2N4O/c17-12-3-5-13(6-4-12)20-16(23)22-10-8-21(9-11-22)15-14(18)2-1-7-19-15/h1-7H,8-11H2,(H,20,23)
InChIKeyBAVSXOBQVFUSEB-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.74
Rot. Bonds2

About N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide

N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 21037674) has the molecular formula C16H16Cl2N4O and a molecular weight of 351.24 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
PubChem CID21037674
Molecular FormulaC16H16Cl2N4O
Molecular Weight351.24 g/mol
Exact Mass350.07
IUPAC NameN-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C16H16Cl2N4O/c17-12-3-5-13(6-4-12)20-16(23)22-10-8-21(9-11-22)15-14(18)2-1-7-19-15/h1-7H,8-11H2,(H,20,23)
InChIKeyBAVSXOBQVFUSEB-UHFFFAOYSA-N
XLogP3.74
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide 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

N-(4-tert-Butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide
CID 9929425
N-(2,4-Difluorophenyl)-4-(2-pyridinyl)-1-piperazineacetamide
CID 3547487
N-(4-Chlorophenyl)-N'-(2-pyridinyl)urea
CID 769416
1-(3,4-Dichlorophenyl)-3-(2-pyridyl)urea
CID 786649
N2-(4-chlorophenyl)pyridine-2,3-diamine
CID 12445422
1-(5-Chloropyridin-2-yl)piperazine
CID 3805301
1-(3-Chloropyridin-2-yl)piperazine
CID 11412944
N-(4-Chlorophenyl)-N'-(3-pyridinyl)urea
CID 759079
N-(4-Chlorophenyl)-N'-(2-pyridinylmethyl)urea
CID 853195
1-(2-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea
CID 894930
N-(3,4-dichlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
CID 1326396
1-(3-Chlorophenyl)-3-pyrazin-2-ylurea
CID 3287669

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide (CID 21037674) is N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is BAVSXOBQVFUSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O/c17-12-3-5-13(6-4-12)20-16(23)22-10-8-21(9-11-22)15-14(18)2-1-7-19-15/h1-7H,8-11H2,(H,20,23).
What are the key properties of N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 351.24 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 21037674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).