1-[(2R)-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one

C12H19N3O — CID 165111566

IUPAC1-[(2R)-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC[C@@H]1c1cncn1C
InChIInChI=1S/C12H19N3O/c1-3-12(16)15-7-5-4-6-10(15)11-8-13-9-14(11)2/h8-10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyZRIHLDNGAGNVRX-SNVBAGLBSA-N
MW221.30 g/mol
LogP1.88
Rot. Bonds2

About 1-[(2R)-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one

1-[(2R)-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one (PubChem CID 165111566) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[(2R)-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one
PubChem CID165111566
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[(2R)-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC[C@@H]1c1cncn1C
InChIInChI=1S/C12H19N3O/c1-3-12(16)15-7-5-4-6-10(15)11-8-13-9-14(11)2/h8-10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyZRIHLDNGAGNVRX-SNVBAGLBSA-N
XLogP1.88
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2R)-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one (CID 165111566) is 1-[(2R)-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2R)-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2R)-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC[C@@H]1c1cncn1C.
What is the InChIKey of 1-[(2R)-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one?
The InChIKey is ZRIHLDNGAGNVRX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-12(16)15-7-5-4-6-10(15)11-8-13-9-14(11)2/h8-10H,3-7H2,1-2H3/t10-/m1/s1.
What are the key properties of 1-[(2R)-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one?
1-[(2R)-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one has a molecular weight of 221.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 165111566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).