N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

C17H18Cl2N4O — CID 17184514

IUPACN-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C17H18Cl2N4O/c18-15-5-4-13(11-16(15)19)21-17(24)23-9-7-22(8-10-23)12-14-3-1-2-6-20-14/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyNLHKMGLSMWEWPD-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.74
Rot. Bonds3

About N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 17184514) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID17184514
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC NameN-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C17H18Cl2N4O/c18-15-5-4-13(11-16(15)19)21-17(24)23-9-7-22(8-10-23)12-14-3-1-2-6-20-14/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyNLHKMGLSMWEWPD-UHFFFAOYSA-N
XLogP3.74
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)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-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108333
N-(3,4-dichlorophenyl)-4-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 11698340
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500
N-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184534
N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797210
N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184526
4-(pyridin-2-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113108357
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
N-(3,4-dichlorophenyl)-1-(pyridin-2-ylmethyl)azetidine-2-carboxamide
CID 172896052
4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 60600985
4-(cyanomethyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 60971116
4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 11576501

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 17184514) is N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is NLHKMGLSMWEWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O/c18-15-5-4-13(11-16(15)19)21-17(24)23-9-7-22(8-10-23)12-14-3-1-2-6-20-14/h1-6,11H,7-10,12H2,(H,21,24).
What are the key properties of N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 365.26 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 17184514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).