2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride

C19H22ClN3O2 — CID 119945120

IUPAC2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride
SMILESCl.Nc1ccccc1C(=O)Nc1cccc(CN2CCCCC2=O)c1
InChIInChI=1S/C19H21N3O2.ClH/c20-17-9-2-1-8-16(17)19(24)21-15-7-5-6-14(12-15)13-22-11-4-3-10-18(22)23;/h1-2,5-9,12H,3-4,10-11,13,20H2,(H,21,24);1H
InChIKeyGRBWXAHWHSRJBA-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.46
Rot. Bonds4

About 2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride

2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride (PubChem CID 119945120) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride
PubChem CID119945120
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride
SMILESCl.Nc1ccccc1C(=O)Nc1cccc(CN2CCCCC2=O)c1
InChIInChI=1S/C19H21N3O2.ClH/c20-17-9-2-1-8-16(17)19(24)21-15-7-5-6-14(12-15)13-22-11-4-3-10-18(22)23;/h1-2,5-9,12H,3-4,10-11,13,20H2,(H,21,24);1H
InChIKeyGRBWXAHWHSRJBA-UHFFFAOYSA-N
XLogP3.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride 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

3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 119759695
2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119309661
4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 49412629
5-bromo-N-methyl-N-[2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55967199
1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 49470702
5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 49359891
N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
CID 55380712
3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
CID 49360216
3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide
CID 49360580
(3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide
CID 99778301
3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide
CID 30875155
1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide
CID 49360567

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride (CID 119945120) is 2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride is Cl.Nc1ccccc1C(=O)Nc1cccc(CN2CCCCC2=O)c1.
What is the InChIKey of 2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride?
The InChIKey is GRBWXAHWHSRJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.ClH/c20-17-9-2-1-8-16(17)19(24)21-15-7-5-6-14(12-15)13-22-11-4-3-10-18(22)23;/h1-2,5-9,12H,3-4,10-11,13,20H2,(H,21,24);1H.
What are the key properties of 2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride?
2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119945120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).