3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one

C17H27N3O — CID 90492630

IUPAC3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C17H27N3O/c21-17(6-5-15-3-1-2-4-15)20-10-7-16(8-11-20)13-19-12-9-18-14-19/h9,12,14-16H,1-8,10-11,13H2
InChIKeyCCGJTDQVNNPXLZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.09
Rot. Bonds5

About 3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one

3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 90492630) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID90492630
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C17H27N3O/c21-17(6-5-15-3-1-2-4-15)20-10-7-16(8-11-20)13-19-12-9-18-14-19/h9,12,14-16H,1-8,10-11,13H2
InChIKeyCCGJTDQVNNPXLZ-UHFFFAOYSA-N
XLogP3.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)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

Related Compounds

1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 90493183
1-(cyclooctylmethyl)imidazole
CID 20550238
methyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
CID 139900806
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 90493170
3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492840
1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 80677357
6-cyclohexyl-1-imidazol-1-ylhexan-2-one
CID 57292403
3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 63248882
formic acid;1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 154908443
N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 90492606
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide
CID 47020069

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one (CID 90492630) is 3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCC(Cn2ccnc2)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is CCGJTDQVNNPXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c21-17(6-5-15-3-1-2-4-15)20-10-7-16(8-11-20)13-19-12-9-18-14-19/h9,12,14-16H,1-8,10-11,13H2.
What are the key properties of 3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 90492630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).