1-(1H-imidazol-5-ylmethyl)-5-propylpiperidin-2-one

C12H19N3O — CID 67368225

IUPAC1-(1H-imidazol-5-ylmethyl)-5-propylpiperidin-2-one
SMILESCCCC1CCC(=O)N(Cc2cnc[nH]2)C1
InChIInChI=1S/C12H19N3O/c1-2-3-10-4-5-12(16)15(7-10)8-11-6-13-9-14-11/h6,9-10H,2-5,7-8H2,1H3,(H,13,14)
InChIKeyNCIVGKINSFQBMI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.95
Rot. Bonds4

About 1-(1H-imidazol-5-ylmethyl)-5-propylpiperidin-2-one

1-(1H-imidazol-5-ylmethyl)-5-propylpiperidin-2-one (PubChem CID 67368225) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-5-propylpiperidin-2-one.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-5-propylpiperidin-2-one
PubChem CID67368225
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(1H-imidazol-5-ylmethyl)-5-propylpiperidin-2-one
SMILESCCCC1CCC(=O)N(Cc2cnc[nH]2)C1
InChIInChI=1S/C12H19N3O/c1-2-3-10-4-5-12(16)15(7-10)8-11-6-13-9-14-11/h6,9-10H,2-5,7-8H2,1H3,(H,13,14)
InChIKeyNCIVGKINSFQBMI-UHFFFAOYSA-N
XLogP1.95
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-5-propylpiperidin-2-one?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-5-propylpiperidin-2-one (CID 67368225) is 1-(1H-imidazol-5-ylmethyl)-5-propylpiperidin-2-one.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-5-propylpiperidin-2-one?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-5-propylpiperidin-2-one is CCCC1CCC(=O)N(Cc2cnc[nH]2)C1.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-5-propylpiperidin-2-one?
The InChIKey is NCIVGKINSFQBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-3-10-4-5-12(16)15(7-10)8-11-6-13-9-14-11/h6,9-10H,2-5,7-8H2,1H3,(H,13,14).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-5-propylpiperidin-2-one?
1-(1H-imidazol-5-ylmethyl)-5-propylpiperidin-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-5-propylpiperidin-2-one is sourced from PubChem (CID 67368225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).