1H-imidazol-5-yl(piperidin-2-yl)methanone

C9H13N3O — CID 84732201

IUPAC1H-imidazol-5-yl(piperidin-2-yl)methanone
SMILESO=C(c1cnc[nH]1)C1CCCCN1
InChIInChI=1S/C9H13N3O/c13-9(8-5-10-6-12-8)7-3-1-2-4-11-7/h5-7,11H,1-4H2,(H,10,12)
InChIKeyXGOFZFZHNOVQDI-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.73
Rot. Bonds2

About 1H-imidazol-5-yl(piperidin-2-yl)methanone

1H-imidazol-5-yl(piperidin-2-yl)methanone (PubChem CID 84732201) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1H-imidazol-5-yl(piperidin-2-yl)methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl(piperidin-2-yl)methanone
PubChem CID84732201
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1H-imidazol-5-yl(piperidin-2-yl)methanone
SMILESO=C(c1cnc[nH]1)C1CCCCN1
InChIInChI=1S/C9H13N3O/c13-9(8-5-10-6-12-8)7-3-1-2-4-11-7/h5-7,11H,1-4H2,(H,10,12)
InChIKeyXGOFZFZHNOVQDI-UHFFFAOYSA-N
XLogP0.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-imidazol-5-yl(pyrrolidin-2-yl)methanone
CID 84731572
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide
CID 65232472
[(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone
CID 140972419
(4-methyl-3-pyridinyl)-piperidin-2-ylmethanone
CID 116547900
phenyl(piperidin-2-yl)methanone
CID 19772085
N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide
CID 106607277
(3,5-dimethylphenyl)-piperidin-2-ylmethanone
CID 82285234
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
CID 104972137
(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 15296546
bis[(2S)-piperidin-2-yl]methanone
CID 174971247
[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] (2R)-pyrrolidine-2-carboxylate
CID 88805910
(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone
CID 114668046

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl(piperidin-2-yl)methanone?
The IUPAC name of 1H-imidazol-5-yl(piperidin-2-yl)methanone (CID 84732201) is 1H-imidazol-5-yl(piperidin-2-yl)methanone.
What is the SMILES notation for 1H-imidazol-5-yl(piperidin-2-yl)methanone?
The canonical SMILES for 1H-imidazol-5-yl(piperidin-2-yl)methanone is O=C(c1cnc[nH]1)C1CCCCN1.
What is the InChIKey of 1H-imidazol-5-yl(piperidin-2-yl)methanone?
The InChIKey is XGOFZFZHNOVQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9(8-5-10-6-12-8)7-3-1-2-4-11-7/h5-7,11H,1-4H2,(H,10,12).
What are the key properties of 1H-imidazol-5-yl(piperidin-2-yl)methanone?
1H-imidazol-5-yl(piperidin-2-yl)methanone has a molecular weight of 179.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl(piperidin-2-yl)methanone is sourced from PubChem (CID 84732201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).