imidazol-1-yl(piperidin-1-yl)methanone

C9H13N3O — CID 949902

IUPACimidazol-1-yl(piperidin-1-yl)methanone
SMILESO=C(N1CCCCC1)n1ccnc1
InChIInChI=1S/C9H13N3O/c13-9(12-7-4-10-8-12)11-5-2-1-3-6-11/h4,7-8H,1-3,5-6H2
InChIKeyNFUDKWJBXBOZLY-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.34
Rot. Bonds

About imidazol-1-yl(piperidin-1-yl)methanone

imidazol-1-yl(piperidin-1-yl)methanone (PubChem CID 949902) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is imidazol-1-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Nameimidazol-1-yl(piperidin-1-yl)methanone
PubChem CID949902
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Nameimidazol-1-yl(piperidin-1-yl)methanone
SMILESO=C(N1CCCCC1)n1ccnc1
InChIInChI=1S/C9H13N3O/c13-9(12-7-4-10-8-12)11-5-2-1-3-6-11/h4,7-8H,1-3,5-6H2
InChIKeyNFUDKWJBXBOZLY-UHFFFAOYSA-N
XLogP1.34
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl(piperidin-1-yl)methanone?
The IUPAC name of imidazol-1-yl(piperidin-1-yl)methanone (CID 949902) is imidazol-1-yl(piperidin-1-yl)methanone.
What is the SMILES notation for imidazol-1-yl(piperidin-1-yl)methanone?
The canonical SMILES for imidazol-1-yl(piperidin-1-yl)methanone is O=C(N1CCCCC1)n1ccnc1.
What is the InChIKey of imidazol-1-yl(piperidin-1-yl)methanone?
The InChIKey is NFUDKWJBXBOZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9(12-7-4-10-8-12)11-5-2-1-3-6-11/h4,7-8H,1-3,5-6H2.
What are the key properties of imidazol-1-yl(piperidin-1-yl)methanone?
imidazol-1-yl(piperidin-1-yl)methanone has a molecular weight of 179.22 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 949902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).