2-(4-amino-2-methylpiperidin-1-yl)benzamide

C13H19N3O — CID 115313422

IUPAC2-(4-amino-2-methylpiperidin-1-yl)benzamide
SMILESCC1CC(N)CCN1c1ccccc1C(N)=O
InChIInChI=1S/C13H19N3O/c1-9-8-10(14)6-7-16(9)12-5-3-2-4-11(12)13(15)17/h2-5,9-10H,6-8,14H2,1H3,(H2,15,17)
InChIKeyVTGWFVUOCDDMKB-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.10
Rot. Bonds2

About 2-(4-amino-2-methylpiperidin-1-yl)benzamide

2-(4-amino-2-methylpiperidin-1-yl)benzamide (PubChem CID 115313422) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(4-amino-2-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name2-(4-amino-2-methylpiperidin-1-yl)benzamide
PubChem CID115313422
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(4-amino-2-methylpiperidin-1-yl)benzamide
SMILESCC1CC(N)CCN1c1ccccc1C(N)=O
InChIInChI=1S/C13H19N3O/c1-9-8-10(14)6-7-16(9)12-5-3-2-4-11(12)13(15)17/h2-5,9-10H,6-8,14H2,1H3,(H2,15,17)
InChIKeyVTGWFVUOCDDMKB-UHFFFAOYSA-N
XLogP1.10
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-2-methylpiperidin-1-yl)benzamide
CID 156693605
1-(2-carbamoylphenyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369504
2-(2-methylpiperazin-1-yl)benzamide
CID 22411270
6-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 115313380
2-(4-amino-2-methylpiperidin-1-yl)-6-methylpyridine-3-carboxamide
CID 113284707
1-(2-ethylsulfonylphenyl)-2-methylpiperidin-4-amine
CID 115313599
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide
CID 103353540
2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine
CID 54975723
2-amino-3-(2-methylazepan-1-yl)benzamide
CID 113333036
2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide
CID 55167908
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide
CID 68507649
2-[1-(2-carbamoylphenyl)piperidin-4-yl]acetic acid
CID 79608319

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylpiperidin-1-yl)benzamide?
The IUPAC name of 2-(4-amino-2-methylpiperidin-1-yl)benzamide (CID 115313422) is 2-(4-amino-2-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for 2-(4-amino-2-methylpiperidin-1-yl)benzamide?
The canonical SMILES for 2-(4-amino-2-methylpiperidin-1-yl)benzamide is CC1CC(N)CCN1c1ccccc1C(N)=O.
What is the InChIKey of 2-(4-amino-2-methylpiperidin-1-yl)benzamide?
The InChIKey is VTGWFVUOCDDMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-8-10(14)6-7-16(9)12-5-3-2-4-11(12)13(15)17/h2-5,9-10H,6-8,14H2,1H3,(H2,15,17).
What are the key properties of 2-(4-amino-2-methylpiperidin-1-yl)benzamide?
2-(4-amino-2-methylpiperidin-1-yl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 115313422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).