1-[(3S)-3-[(6-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone

C15H19N5O — CID 95820901

IUPAC1-[(3S)-3-[(6-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](Cc2cncc(-n3ccnc3)n2)C1
InChIInChI=1S/C15H19N5O/c1-12(21)19-5-2-3-13(10-19)7-14-8-17-9-15(18-14)20-6-4-16-11-20/h4,6,8-9,11,13H,2-3,5,7,10H2,1H3/t13-/m0/s1
InChIKeyYHCAYCKNFMKRPG-ZDUSSCGKSA-N
MW285.35 g/mol
LogP1.46
Rot. Bonds3

About 1-[(3S)-3-[(6-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone

1-[(3S)-3-[(6-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 95820901) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(3S)-3-[(6-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[(6-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
PubChem CID95820901
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[(3S)-3-[(6-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](Cc2cncc(-n3ccnc3)n2)C1
InChIInChI=1S/C15H19N5O/c1-12(21)19-5-2-3-13(10-19)7-14-8-17-9-15(18-14)20-6-4-16-11-20/h4,6,8-9,11,13H,2-3,5,7,10H2,1H3/t13-/m0/s1
InChIKeyYHCAYCKNFMKRPG-ZDUSSCGKSA-N
XLogP1.46
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
CID 110255801
1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95804488
1-[3-[(6-pyridin-3-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110257442
1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110255816
1-[3-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110257663
1-[(3R)-3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124970434
1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
CID 95838452
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
1-[(3R)-3-[[5-(propan-2-ylamino)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95846503
2-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyrazin-2-yl]-4-fluorobenzoic acid
CID 125020327
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid
CID 95804599
6-[(1-acetylpiperidin-3-yl)methyl]pyridazine-3-carboxylic acid
CID 110246143

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[(6-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[(6-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone (CID 95820901) is 1-[(3S)-3-[(6-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[(6-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[(6-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@@H](Cc2cncc(-n3ccnc3)n2)C1.
What is the InChIKey of 1-[(3S)-3-[(6-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is YHCAYCKNFMKRPG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N5O/c1-12(21)19-5-2-3-13(10-19)7-14-8-17-9-15(18-14)20-6-4-16-11-20/h4,6,8-9,11,13H,2-3,5,7,10H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-[(6-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone?
1-[(3S)-3-[(6-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[(6-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95820901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).