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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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).