1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one

C18H23N3O — CID 90492944

IUPAC1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Cn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C18H23N3O/c1-2-17(22)20-11-8-15(9-12-20)14-21-13-10-19-18(21)16-6-4-3-5-7-16/h3-7,10,13,15H,2,8-9,11-12,14H2,1H3
InChIKeyIPYRDLYDADZUJX-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.20
Rot. Bonds4

About 1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one

1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 90492944) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID90492944
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Cn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C18H23N3O/c1-2-17(22)20-11-8-15(9-12-20)14-21-13-10-19-18(21)16-6-4-3-5-7-16/h3-7,10,13,15H,2,8-9,11-12,14H2,1H3
InChIKeyIPYRDLYDADZUJX-UHFFFAOYSA-N
XLogP3.20
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(2-phenylimidazol-1-yl)methyl]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

N-[2-oxo-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]benzamide
CID 90492929
1-(azepan-1-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494396
(2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492963
3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90493537
1-(4-chlorophenyl)-4-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione
CID 90492938
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 90492931
1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493512
N-methyl-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494467
2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one
CID 71781081
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492933
N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494541
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493470

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one (CID 90492944) is 1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(Cn2ccnc2-c2ccccc2)CC1.
What is the InChIKey of 1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is IPYRDLYDADZUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-2-17(22)20-11-8-15(9-12-20)14-21-13-10-19-18(21)16-6-4-3-5-7-16/h3-7,10,13,15H,2,8-9,11-12,14H2,1H3.
What are the key properties of 1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 297.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 90492944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).