3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one

C15H20N3O+ — CID 143670655

IUPAC3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one
SMILESC[NH+]1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1
InChIInChI=1S/C15H19N3O/c1-17-9-7-13(8-10-17)18-11-14(16-15(18)19)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,19)/p+1
InChIKeyBAIOTCAQTSBOEL-UHFFFAOYSA-O
MW258.34 g/mol
LogP0.69
Rot. Bonds2

About 3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one

3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one (PubChem CID 143670655) has the molecular formula C15H20N3O+ and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one
PubChem CID143670655
Molecular FormulaC15H20N3O+
Molecular Weight258.34 g/mol
Exact Mass258.16
IUPAC Name3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one
SMILESC[NH+]1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1
InChIInChI=1S/C15H19N3O/c1-17-9-7-13(8-10-17)18-11-14(16-15(18)19)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,19)/p+1
InChIKeyBAIOTCAQTSBOEL-UHFFFAOYSA-O
XLogP0.69
TPSA42.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-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

5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride
CID 67344326
5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one
CID 68839579
5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one
CID 18321473
4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde
CID 22945766
3-(1-ethylpiperidin-4-yl)-5-(3-hydroxyphenyl)-1H-imidazol-2-one
CID 59767849
5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one
CID 142061485
(3R,5R)-1-(cyclopropylmethyl)-3-[[hydroxy-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]amino]-5-methylazepan-2-one
CID 143173431
N-[(3S)-1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 143085580
(Z)-2-(2,3-dimethylphenyl)-3-[formyl-[2-oxo-2-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]amino]-N,N-dimethylprop-2-enamide
CID 155112461
N-[2-bromo-4-[4-oxo-4-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]butanoyl]phenyl]acetamide
CID 21109753
N-[1-acetyl-4-(cyclopropylmethyl)-5-oxo-2-phenyl-1,4-diazepan-6-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 72754219
N-[(2R)-3-(3,5-dibromophenyl)-1-[4-(1-ethylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 10055970

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one?
The IUPAC name of 3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one (CID 143670655) is 3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one?
The canonical SMILES for 3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one is C[NH+]1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1.
What is the InChIKey of 3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one?
The InChIKey is BAIOTCAQTSBOEL-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H19N3O/c1-17-9-7-13(8-10-17)18-11-14(16-15(18)19)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,19)/p+1.
What are the key properties of 3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one?
3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one has a molecular weight of 258.34 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one is sourced from PubChem (CID 143670655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).