2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone

C11H17N3O — CID 116548056

IUPAC2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone
SMILESCn1ccnc1CC(=O)C1CCCNC1
InChIInChI=1S/C11H17N3O/c1-14-6-5-13-11(14)7-10(15)9-3-2-4-12-8-9/h5-6,9,12H,2-4,7-8H2,1H3
InChIKeyYFFGTZUQHPBMRV-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.53
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone

2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone (PubChem CID 116548056) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone
PubChem CID116548056
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone
SMILESCn1ccnc1CC(=O)C1CCCNC1
InChIInChI=1S/C11H17N3O/c1-14-6-5-13-11(14)7-10(15)9-3-2-4-12-8-9/h5-6,9,12H,2-4,7-8H2,1H3
InChIKeyYFFGTZUQHPBMRV-UHFFFAOYSA-N
XLogP0.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 116583786
1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol
CID 79743754
N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 63007268
4-methyl-1-(1-methylimidazol-2-yl)-4-piperidin-3-ylpentan-3-one
CID 114533376
2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone
CID 116548098
2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone
CID 116548123
1-(1-methylimidazol-2-yl)-4-piperidin-4-ylbutan-2-one
CID 116563440
2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone
CID 116548028
2-(4-ethylphenyl)-1-piperidin-3-ylethanone
CID 82082195
1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
CID 79744561
3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine
CID 112564988
2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone
CID 116548022

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone (CID 116548056) is 2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone is Cn1ccnc1CC(=O)C1CCCNC1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone?
The InChIKey is YFFGTZUQHPBMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-6-5-13-11(14)7-10(15)9-3-2-4-12-8-9/h5-6,9,12H,2-4,7-8H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone?
2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone has a molecular weight of 207.28 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone is sourced from PubChem (CID 116548056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).