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

C19H21N3O2 — CID 119759695

IUPAC3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
SMILESNc1cccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)c1
InChIInChI=1S/C19H21N3O2/c20-16-7-4-6-15(12-16)19(24)21-17-8-3-5-14(11-17)13-22-10-2-1-9-18(22)23/h3-8,11-12H,1-2,9-10,13,20H2,(H,21,24)
InChIKeyIOCNSHWJCZMMDE-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.03
Rot. Bonds4

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

3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide (PubChem CID 119759695) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
PubChem CID119759695
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
SMILESNc1cccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)c1
InChIInChI=1S/C19H21N3O2/c20-16-7-4-6-15(12-16)19(24)21-17-8-3-5-14(11-17)13-22-10-2-1-9-18(22)23/h3-8,11-12H,1-2,9-10,13,20H2,(H,21,24)
InChIKeyIOCNSHWJCZMMDE-UHFFFAOYSA-N
XLogP3.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 49412629
2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride
CID 119945120
3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride
CID 119716935
5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 49359891
N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 92627414
3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
CID 55651425
[2-formyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]boronic acid
CID 166430535
2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119309661
3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide
CID 49360580
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 134062959
N-(2-chlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9032159
1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 49470702

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide (CID 119759695) is 3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide is Nc1cccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)c1.
What is the InChIKey of 3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide?
The InChIKey is IOCNSHWJCZMMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c20-16-7-4-6-15(12-16)19(24)21-17-8-3-5-14(11-17)13-22-10-2-1-9-18(22)23/h3-8,11-12H,1-2,9-10,13,20H2,(H,21,24).
What are the key properties of 3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide?
3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide has a molecular weight of 323.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 119759695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).