1H-imidazol-5-yl(piperidin-4-yl)methanone

C9H13N3O — CID 11252330

IUPAC1H-imidazol-5-yl(piperidin-4-yl)methanone
SMILESO=C(c1cnc[nH]1)C1CCNCC1
InChIInChI=1S/C9H13N3O/c13-9(8-5-11-6-12-8)7-1-3-10-4-2-7/h5-7,10H,1-4H2,(H,11,12)
InChIKeyVREWEZFRKMWHEA-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.59
Rot. Bonds2

About 1H-imidazol-5-yl(piperidin-4-yl)methanone

1H-imidazol-5-yl(piperidin-4-yl)methanone (PubChem CID 11252330) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1H-imidazol-5-yl(piperidin-4-yl)methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl(piperidin-4-yl)methanone
PubChem CID11252330
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1H-imidazol-5-yl(piperidin-4-yl)methanone
SMILESO=C(c1cnc[nH]1)C1CCNCC1
InChIInChI=1S/C9H13N3O/c13-9(8-5-11-6-12-8)7-1-3-10-4-2-7/h5-7,10H,1-4H2,(H,11,12)
InChIKeyVREWEZFRKMWHEA-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl(piperidin-4-yl)methanone?
The IUPAC name of 1H-imidazol-5-yl(piperidin-4-yl)methanone (CID 11252330) is 1H-imidazol-5-yl(piperidin-4-yl)methanone.
What is the SMILES notation for 1H-imidazol-5-yl(piperidin-4-yl)methanone?
The canonical SMILES for 1H-imidazol-5-yl(piperidin-4-yl)methanone is O=C(c1cnc[nH]1)C1CCNCC1.
What is the InChIKey of 1H-imidazol-5-yl(piperidin-4-yl)methanone?
The InChIKey is VREWEZFRKMWHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9(8-5-11-6-12-8)7-1-3-10-4-2-7/h5-7,10H,1-4H2,(H,11,12).
What are the key properties of 1H-imidazol-5-yl(piperidin-4-yl)methanone?
1H-imidazol-5-yl(piperidin-4-yl)methanone has a molecular weight of 179.22 g/mol, XLogP of 0.59, 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-4-yl)methanone is sourced from PubChem (CID 11252330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).