5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride

C14H18ClN3O — CID 67344326

IUPAC5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride
SMILESCl.O=c1[nH]c(-c2ccccc2)cn1C1CCNCC1
InChIInChI=1S/C14H17N3O.ClH/c18-14-16-13(11-4-2-1-3-5-11)10-17(14)12-6-8-15-9-7-12;/h1-5,10,12,15H,6-9H2,(H,16,18);1H
InChIKeyKYJUBVYOOBEASB-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.19
Rot. Bonds2

About 5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride

5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride (PubChem CID 67344326) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride
PubChem CID67344326
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride
SMILESCl.O=c1[nH]c(-c2ccccc2)cn1C1CCNCC1
InChIInChI=1S/C14H17N3O.ClH/c18-14-16-13(11-4-2-1-3-5-11)10-17(14)12-6-8-15-9-7-12;/h1-5,10,12,15H,6-9H2,(H,16,18);1H
InChIKeyKYJUBVYOOBEASB-UHFFFAOYSA-N
XLogP2.19
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one
CID 18321473
3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one
CID 143670655
5-(4-amino-3,5-dibromophenyl)-3-piperidin-4-yl-1H-imidazol-2-one
CID 18321230
5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one
CID 68839579
2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile
CID 59856528
5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one
CID 142061485
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
N-[(3S)-1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 143085580
tert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate
CID 18321429
N-[(3S,7S)-1-(cyclopropylmethyl)-2-oxo-7-phenylazepan-3-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 11409928
(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

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride?
The IUPAC name of 5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride (CID 67344326) is 5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride.
What is the SMILES notation for 5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride?
The canonical SMILES for 5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride is Cl.O=c1[nH]c(-c2ccccc2)cn1C1CCNCC1.
What is the InChIKey of 5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride?
The InChIKey is KYJUBVYOOBEASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O.ClH/c18-14-16-13(11-4-2-1-3-5-11)10-17(14)12-6-8-15-9-7-12;/h1-5,10,12,15H,6-9H2,(H,16,18);1H.
What are the key properties of 5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride?
5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride is sourced from PubChem (CID 67344326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).