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

C19H21N3O2 — CID 120622526

IUPAC5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCc1ccc(N)cc1C(=O)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C19H21N3O2/c1-13-8-9-14(20)11-17(13)19(24)21-15-5-4-6-16(12-15)22-10-3-2-7-18(22)23/h4-6,8-9,11-12H,2-3,7,10,20H2,1H3,(H,21,24)
InChIKeyOIEATOUBCUJQLG-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.35
Rot. Bonds3

About 5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide

5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide (PubChem CID 120622526) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
PubChem CID120622526
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCc1ccc(N)cc1C(=O)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C19H21N3O2/c1-13-8-9-14(20)11-17(13)19(24)21-15-5-4-6-16(12-15)22-10-3-2-7-18(22)23/h4-6,8-9,11-12H,2-3,7,10,20H2,1H3,(H,21,24)
InChIKeyOIEATOUBCUJQLG-UHFFFAOYSA-N
XLogP3.35
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide;hydrochloride
CID 120622525
2-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 119290000
2,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687662
4-amino-5-chloro-2-methoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 119724540
3-acetamido-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 46471677
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
3-methoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687642
N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide
CID 30679921
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687664
3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687589
N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
CID 7687596

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide (CID 120622526) is 5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide is Cc1ccc(N)cc1C(=O)Nc1cccc(N2CCCCC2=O)c1.
What is the InChIKey of 5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide?
The InChIKey is OIEATOUBCUJQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-8-9-14(20)11-17(13)19(24)21-15-5-4-6-16(12-15)22-10-3-2-7-18(22)23/h4-6,8-9,11-12H,2-3,7,10,20H2,1H3,(H,21,24).
What are the key properties of 5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide?
5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide has a molecular weight of 323.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 120622526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).