3-(2-oxopiperidin-1-yl)-2-phenylbenzamide;hydrochloride

C18H19ClN2O2 — CID 174723380

IUPAC3-(2-oxopiperidin-1-yl)-2-phenylbenzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(N2CCCCC2=O)c1-c1ccccc1
InChIInChI=1S/C18H18N2O2.ClH/c19-18(22)14-9-6-10-15(20-12-5-4-11-16(20)21)17(14)13-7-2-1-3-8-13;/h1-3,6-10H,4-5,11-12H2,(H2,19,22);1H
InChIKeyJHGVBUFUTGIHKA-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.39
Rot. Bonds3

About 3-(2-oxopiperidin-1-yl)-2-phenylbenzamide;hydrochloride

3-(2-oxopiperidin-1-yl)-2-phenylbenzamide;hydrochloride (PubChem CID 174723380) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-(2-oxopiperidin-1-yl)-2-phenylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-(2-oxopiperidin-1-yl)-2-phenylbenzamide;hydrochloride
PubChem CID174723380
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name3-(2-oxopiperidin-1-yl)-2-phenylbenzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(N2CCCCC2=O)c1-c1ccccc1
InChIInChI=1S/C18H18N2O2.ClH/c19-18(22)14-9-6-10-15(20-12-5-4-11-16(20)21)17(14)13-7-2-1-3-8-13;/h1-3,6-10H,4-5,11-12H2,(H2,19,22);1H
InChIKeyJHGVBUFUTGIHKA-UHFFFAOYSA-N
XLogP3.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid
CID 22252981
N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9297068
3-amino-4-(2-oxopiperidin-1-yl)benzoic acid
CID 63117149
5-amino-2-(2-oxopiperidin-1-yl)benzoic acid
CID 63116213
3-(8,9-dihydropurin-7-yl)-2-phenylbenzamide
CID 135312174
3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid
CID 107273661
2-fluoro-6-(2-oxopyrrolidin-1-yl)benzenecarbothioamide
CID 43581062
1-[2-(hydroxymethyl)phenyl]piperidin-2-one
CID 100933154
1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid
CID 63746544
3-methyl-2-phenyl-4-piperidin-1-ylbenzamide
CID 151957511
phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131445

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopiperidin-1-yl)-2-phenylbenzamide;hydrochloride?
The IUPAC name of 3-(2-oxopiperidin-1-yl)-2-phenylbenzamide;hydrochloride (CID 174723380) is 3-(2-oxopiperidin-1-yl)-2-phenylbenzamide;hydrochloride.
What is the SMILES notation for 3-(2-oxopiperidin-1-yl)-2-phenylbenzamide;hydrochloride?
The canonical SMILES for 3-(2-oxopiperidin-1-yl)-2-phenylbenzamide;hydrochloride is Cl.NC(=O)c1cccc(N2CCCCC2=O)c1-c1ccccc1.
What is the InChIKey of 3-(2-oxopiperidin-1-yl)-2-phenylbenzamide;hydrochloride?
The InChIKey is JHGVBUFUTGIHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2.ClH/c19-18(22)14-9-6-10-15(20-12-5-4-11-16(20)21)17(14)13-7-2-1-3-8-13;/h1-3,6-10H,4-5,11-12H2,(H2,19,22);1H.
What are the key properties of 3-(2-oxopiperidin-1-yl)-2-phenylbenzamide;hydrochloride?
3-(2-oxopiperidin-1-yl)-2-phenylbenzamide;hydrochloride has a molecular weight of 330.82 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopiperidin-1-yl)-2-phenylbenzamide;hydrochloride is sourced from PubChem (CID 174723380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).