[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone

C15H18N6O — CID 124988875

IUPAC[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESNc1nccnc1C[C@@H]1CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C15H18N6O/c16-14-12(18-5-6-20-14)8-11-2-1-7-21(10-11)15(22)13-9-17-3-4-19-13/h3-6,9,11H,1-2,7-8,10H2,(H2,16,20)/t11-/m0/s1
InChIKeyOQCQZLBNXPJDOD-NSHDSACASA-N
MW298.35 g/mol
LogP0.94
Rot. Bonds3

About [(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone

[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 124988875) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is [(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID124988875
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESNc1nccnc1C[C@@H]1CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C15H18N6O/c16-14-12(18-5-6-20-14)8-11-2-1-7-21(10-11)15(22)13-9-17-3-4-19-13/h3-6,9,11H,1-2,7-8,10H2,(H2,16,20)/t11-/m0/s1
InChIKeyOQCQZLBNXPJDOD-NSHDSACASA-N
XLogP0.94
TPSA97.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125010946
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
[(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95828473
1-[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125012200
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 110113168
[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 110113145
[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 125010142
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95532367
[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 124955017

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 124988875) is [(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone is Nc1nccnc1C[C@@H]1CCCN(C(=O)c2cnccn2)C1.
What is the InChIKey of [(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is OQCQZLBNXPJDOD-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N6O/c16-14-12(18-5-6-20-14)8-11-2-1-7-21(10-11)15(22)13-9-17-3-4-19-13/h3-6,9,11H,1-2,7-8,10H2,(H2,16,20)/t11-/m0/s1.
What are the key properties of [(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 298.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 124988875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).