(3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide

C12H18N4O — CID 138539048

IUPAC(3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
SMILESCN1CCC[C@@H](C(=O)NCc2cnccn2)C1
InChIInChI=1S/C12H18N4O/c1-16-6-2-3-10(9-16)12(17)15-8-11-7-13-4-5-14-11/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyPCCMUCJMZFWLEX-SNVBAGLBSA-N
MW234.30 g/mol
LogP0.43
Rot. Bonds3

About (3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide

(3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 138539048) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is (3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID138539048
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name(3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
SMILESCN1CCC[C@@H](C(=O)NCc2cnccn2)C1
InChIInChI=1S/C12H18N4O/c1-16-6-2-3-10(9-16)12(17)15-8-11-7-13-4-5-14-11/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyPCCMUCJMZFWLEX-SNVBAGLBSA-N
XLogP0.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235
(3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide
CID 168934298
(3S)-1-(1-pyrazin-2-ylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95555076
1-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 50874520
1-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]piperidine-3-carboxamide
CID 121049162
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433
1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide
CID 72838302
(3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 816617
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
(3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide
CID 95396834
(3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97193281
(3S)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 99970361

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide (CID 138539048) is (3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide is CN1CCC[C@@H](C(=O)NCc2cnccn2)C1.
What is the InChIKey of (3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is PCCMUCJMZFWLEX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N4O/c1-16-6-2-3-10(9-16)12(17)15-8-11-7-13-4-5-14-11/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide?
(3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 138539048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).