N-[(2-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C17H19ClN4O — CID 3224181

IUPACN-[(2-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H19ClN4O/c18-15-4-2-1-3-14(15)11-21-17(23)13-5-9-22(10-6-13)16-12-19-7-8-20-16/h1-4,7-8,12-13H,5-6,9-11H2,(H,21,23)
InChIKeyZQEDOFVWIXOUOD-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.66
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 3224181) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID3224181
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC NameN-[(2-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H19ClN4O/c18-15-4-2-1-3-14(15)11-21-17(23)13-5-9-22(10-6-13)16-12-19-7-8-20-16/h1-4,7-8,12-13H,5-6,9-11H2,(H,21,23)
InChIKeyZQEDOFVWIXOUOD-UHFFFAOYSA-N
XLogP2.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-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-chlorobenzyl)-2,2-dimethyl-N-(2-pyrazinyl)propanamide
CID 4563418
1-N-[(2S)-1-[[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]amino]-4-(2,2-dimethylpropylamino)-1,4-dioxobutan-2-yl]-4-N-pyrazin-2-ylpiperidine-1,4-dicarboxamide
CID 137635653
1-N-[(2S)-5-(tert-butylamino)-1-[[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]amino]-1,5-dioxopentan-2-yl]-4-N-pyrazin-2-ylpiperidine-1,4-dicarboxamide
CID 162673549
N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607670
N-(3-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607870
N-benzyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607872
Pyrazine, 2,2'-(o-chlorobenzylidenediimino)di-
CID 100764
Pyrazine, 2,2'-(2,6-dichlorobenzylidenediimino)di-
CID 100183
1-Pyrazin-2-yl-piperidine-4-carboxylic acid o-tolylamide
CID 646156
1-Pyrazin-2-yl-piperidine-4-carboxylic acid [2-(4-chloro-phenyl)-ethyl]-amide
CID 651219
N-(4-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222605
N-[(4-Fluorophenyl)methyl]-1-(pyrazin-2-YL)piperidine-4-carboxamide
CID 3222637

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 3224181) is N-[(2-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is O=C(NCc1ccccc1Cl)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is ZQEDOFVWIXOUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c18-15-4-2-1-3-14(15)11-21-17(23)13-5-9-22(10-6-13)16-12-19-7-8-20-16/h1-4,7-8,12-13H,5-6,9-11H2,(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 330.82 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3224181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).