5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride

C13H18ClN3O2 — CID 120626685

IUPAC5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NC1CCCNC1=O.Cl
InChIInChI=1S/C13H17N3O2.ClH/c1-8-4-5-9(14)7-10(8)12(17)16-11-3-2-6-15-13(11)18;/h4-5,7,11H,2-3,6,14H2,1H3,(H,15,18)(H,16,17);1H
InChIKeyJYQNSSJHTAYSEQ-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.01
Rot. Bonds2

About 5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride

5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride (PubChem CID 120626685) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride
PubChem CID120626685
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NC1CCCNC1=O.Cl
InChIInChI=1S/C13H17N3O2.ClH/c1-8-4-5-9(14)7-10(8)12(17)16-11-3-2-6-15-13(11)18;/h4-5,7,11H,2-3,6,14H2,1H3,(H,15,18)(H,16,17);1H
InChIKeyJYQNSSJHTAYSEQ-UHFFFAOYSA-N
XLogP1.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide
CID 55033252
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
5-amino-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 62304912
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
5-methyl-N-(2-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide
CID 62192755
5-hydroxy-2-methyl-N-[(3S)-2-oxopiperidin-3-yl]pyridine-4-carboxamide
CID 125446782
2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide
CID 43704077
2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide
CID 114344266
2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide
CID 62498386
3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide
CID 81090911
5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 120647242
5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide
CID 61291951

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride?
The IUPAC name of 5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride (CID 120626685) is 5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride is Cc1ccc(N)cc1C(=O)NC1CCCNC1=O.Cl.
What is the InChIKey of 5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride?
The InChIKey is JYQNSSJHTAYSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.ClH/c1-8-4-5-9(14)7-10(8)12(17)16-11-3-2-6-15-13(11)18;/h4-5,7,11H,2-3,6,14H2,1H3,(H,15,18)(H,16,17);1H.
What are the key properties of 5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride?
5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride has a molecular weight of 283.76 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 120626685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).