1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone

C15H19N5O — CID 125023202

IUPAC1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](Cc2nccnc2-c2ncc[nH]2)C1
InChIInChI=1S/C15H19N5O/c1-11(21)20-8-2-3-12(10-20)9-13-14(17-5-4-16-13)15-18-6-7-19-15/h4-7,12H,2-3,8-10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyYWLQYGAOBGRWTQ-LBPRGKRZSA-N
MW285.35 g/mol
LogP1.67
Rot. Bonds3

About 1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone

1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 125023202) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
PubChem CID125023202
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](Cc2nccnc2-c2ncc[nH]2)C1
InChIInChI=1S/C15H19N5O/c1-11(21)20-8-2-3-12(10-20)9-13-14(17-5-4-16-13)15-18-6-7-19-15/h4-7,12H,2-3,8-10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyYWLQYGAOBGRWTQ-LBPRGKRZSA-N
XLogP1.67
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone (CID 125023202) is 1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@@H](Cc2nccnc2-c2ncc[nH]2)C1.
What is the InChIKey of 1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is YWLQYGAOBGRWTQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11(21)20-8-2-3-12(10-20)9-13-14(17-5-4-16-13)15-18-6-7-19-15/h4-7,12H,2-3,8-10H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 125023202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).