(3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide

C15H22N4O2 — CID 816617

IUPAC(3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)[C@H]1CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C15H22N4O2/c1-11(2)8-18-14(20)12-4-3-7-19(10-12)15(21)13-9-16-5-6-17-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyQCRZOMHWIZDANY-LBPRGKRZSA-N
MW290.37 g/mol
LogP1.10
Rot. Bonds4

About (3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide

(3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide (PubChem CID 816617) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
PubChem CID816617
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)[C@H]1CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C15H22N4O2/c1-11(2)8-18-14(20)12-4-3-7-19(10-12)15(21)13-9-16-5-6-17-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyQCRZOMHWIZDANY-LBPRGKRZSA-N
XLogP1.10
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513923
(3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 7296485
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
(4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 816652
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
(4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 6946276
N-(2-methylpropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839376
[(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95828473
[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124988875
tert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate
CID 94824268
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide (CID 816617) is (3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide is CC(C)CNC(=O)[C@H]1CCCN(C(=O)c2cnccn2)C1.
What is the InChIKey of (3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is QCRZOMHWIZDANY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11(2)8-18-14(20)12-4-3-7-19(10-12)15(21)13-9-16-5-6-17-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide?
(3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 816617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).