N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C17H19ClN4O — CID 23607861

IUPACN-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C17H19ClN4O/c18-15-5-3-13(4-6-15)10-21-17(23)14-2-1-9-22(12-14)16-11-19-7-8-20-16/h3-8,11,14H,1-2,9-10,12H2,(H,21,23)
InChIKeyQVQNQVJTKFJHEP-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.66
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 23607861) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID23607861
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC NameN-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C17H19ClN4O/c18-15-5-3-13(4-6-15)10-21-17(23)14-2-1-9-22(12-14)16-11-19-7-8-20-16/h3-8,11,14H,1-2,9-10,12H2,(H,21,23)
InChIKeyQVQNQVJTKFJHEP-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

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Related Compounds

N-(4-chlorobenzyl)-2,2-dimethyl-N-(2-pyrazinyl)propanamide
CID 4563418
N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl}-1-methylpiperidine-3-carboxamide
CID 25218462
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-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3224181
N-(3-ethylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607667
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
N-(3-Methylphenyl)-1-(pyrazin-2-YL)piperidine-3-carboxamide
CID 23607880
N-[(4-chlorophenyl)methyl]pyrazin-2-amine
CID 3849617
4-chloro-N-pyrazin-2-ylbenzamide
CID 2799831

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 23607861) is N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCCN(c2cnccn2)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is QVQNQVJTKFJHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c18-15-5-3-13(4-6-15)10-21-17(23)14-2-1-9-22(12-14)16-11-19-7-8-20-16/h3-8,11,14H,1-2,9-10,12H2,(H,21,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-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-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 23607861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).