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

C17H19ClN4O — CID 40639434

IUPAC(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(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)/t14-/m1/s1
InChIKeyQVQNQVJTKFJHEP-CQSZACIVSA-N
MW330.82 g/mol
LogP2.66
Rot. Bonds4

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

(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 40639434) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is (3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID40639434
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(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)/t14-/m1/s1
InChIKeyQVQNQVJTKFJHEP-CQSZACIVSA-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-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 60515935
1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 46573519
(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882098
(3S)-N-[(4-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 42584756
N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 71942635
N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide
CID 46573281
N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 71701098
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
(3R)-N-[(4-chlorophenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085941
(3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37400735
1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide
CID 51113453

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 40639434) is (3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of (3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is QVQNQVJTKFJHEP-CQSZACIVSA-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)/t14-/m1/s1.
What are the key properties of (3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3R)-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 (3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 40639434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).