(3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide

C12H17ClN4O — CID 168934298

IUPAC(3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide
SMILESCN1CCC[C@@H](C(=O)NCc2nccnc2Cl)C1
InChIInChI=1S/C12H17ClN4O/c1-17-6-2-3-9(8-17)12(18)16-7-10-11(13)15-5-4-14-10/h4-5,9H,2-3,6-8H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyYKWJEURAJJBNSR-SECBINFHSA-N
MW268.75 g/mol
LogP1.09
Rot. Bonds3

About (3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide

(3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide (PubChem CID 168934298) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is (3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide
PubChem CID168934298
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name(3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide
SMILESCN1CCC[C@@H](C(=O)NCc2nccnc2Cl)C1
InChIInChI=1S/C12H17ClN4O/c1-17-6-2-3-9(8-17)12(18)16-7-10-11(13)15-5-4-14-10/h4-5,9H,2-3,6-8H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyYKWJEURAJJBNSR-SECBINFHSA-N
XLogP1.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;sulfane
CID 161175121
(3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 138539048
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235
N-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide
CID 121456295
(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]cyclopropanecarboxamide
CID 157428189
cis-methyl (1R,3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylate
CID 121454905
1-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 50874520
(7S,9aS)-N-[(3-chloropyrazin-2-yl)methyl]-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-7-carboxamide
CID 90283177
1-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]piperidine-3-carboxamide
CID 121049162
(3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide
CID 95396834
(3S)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 99970361
(2S,5R)-2-benzyl-5-[(3-chloropyrazin-2-yl)methylcarbamoyl]-2-(hydroxymethyl)piperidine-1-carboxylic acid
CID 90283616

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide (CID 168934298) is (3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide is CN1CCC[C@@H](C(=O)NCc2nccnc2Cl)C1.
What is the InChIKey of (3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide?
The InChIKey is YKWJEURAJJBNSR-SECBINFHSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-17-6-2-3-9(8-17)12(18)16-7-10-11(13)15-5-4-14-10/h4-5,9H,2-3,6-8H2,1H3,(H,16,18)/t9-/m1/s1.
What are the key properties of (3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide?
(3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide has a molecular weight of 268.75 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 168934298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).