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

C18H21ClN4O — CID 46597069

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C18H21ClN4O/c1-22(12-14-4-2-6-16(19)10-14)18(24)15-5-3-9-23(13-15)17-11-20-7-8-21-17/h2,4,6-8,10-11,15H,3,5,9,12-13H2,1H3
InChIKeyGTGYARMICJRSMC-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.01
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 46597069) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID46597069
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C18H21ClN4O/c1-22(12-14-4-2-6-16(19)10-14)18(24)15-5-3-9-23(13-15)17-11-20-7-8-21-17/h2,4,6-8,10-11,15H,3,5,9,12-13H2,1H3
InChIKeyGTGYARMICJRSMC-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51950210
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597326
1-pyrazin-2-yl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 47024935
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 43066238
(3R)-N-methyl-1-pyrido[2,3-b]pyrazin-7-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 95100909
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792182
N-benzyl-1-(6-methoxypyridazin-3-yl)-N-methylpiperidine-3-carboxamide
CID 75490694
(3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94101331
N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 75414525
[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 100871021
4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 54868902

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 46597069) is N-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide is CN(Cc1cccc(Cl)c1)C(=O)C1CCCN(c2cnccn2)C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is GTGYARMICJRSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-22(12-14-4-2-6-16(19)10-14)18(24)15-5-3-9-23(13-15)17-11-20-7-8-21-17/h2,4,6-8,10-11,15H,3,5,9,12-13H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 46597069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).