3-amino-2-methyl-N-piperidin-1-ylbenzamide

C13H19N3O — CID 83012797

IUPAC3-amino-2-methyl-N-piperidin-1-ylbenzamide
SMILESCc1c(N)cccc1C(=O)NN1CCCCC1
InChIInChI=1S/C13H19N3O/c1-10-11(6-5-7-12(10)14)13(17)15-16-8-3-2-4-9-16/h5-7H,2-4,8-9,14H2,1H3,(H,15,17)
InChIKeyVHAJGNWAWJLZFS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.71
Rot. Bonds2

About 3-amino-2-methyl-N-piperidin-1-ylbenzamide

3-amino-2-methyl-N-piperidin-1-ylbenzamide (PubChem CID 83012797) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-amino-2-methyl-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-piperidin-1-ylbenzamide
PubChem CID83012797
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-amino-2-methyl-N-piperidin-1-ylbenzamide
SMILESCc1c(N)cccc1C(=O)NN1CCCCC1
InChIInChI=1S/C13H19N3O/c1-10-11(6-5-7-12(10)14)13(17)15-16-8-3-2-4-9-16/h5-7H,2-4,8-9,14H2,1H3,(H,15,17)
InChIKeyVHAJGNWAWJLZFS-UHFFFAOYSA-N
XLogP1.71
TPSA58.36 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 ≤ 51.71
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

3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83013438
3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 110463774
3-amino-N-cyclobutyl-2-methylbenzamide
CID 62416681
2-amino-5-methoxy-N-piperidin-1-ylbenzamide
CID 83013031
2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid
CID 114199832
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 65103774
3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide
CID 83013511
3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide
CID 61101990
1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone
CID 16785939
2-pyrrolidin-1-ylethyl 3-amino-2-methylbenzoate
CID 107913340
(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40788930
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide
CID 61140963

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-piperidin-1-ylbenzamide?
The IUPAC name of 3-amino-2-methyl-N-piperidin-1-ylbenzamide (CID 83012797) is 3-amino-2-methyl-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-amino-2-methyl-N-piperidin-1-ylbenzamide?
The canonical SMILES for 3-amino-2-methyl-N-piperidin-1-ylbenzamide is Cc1c(N)cccc1C(=O)NN1CCCCC1.
What is the InChIKey of 3-amino-2-methyl-N-piperidin-1-ylbenzamide?
The InChIKey is VHAJGNWAWJLZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-11(6-5-7-12(10)14)13(17)15-16-8-3-2-4-9-16/h5-7H,2-4,8-9,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-2-methyl-N-piperidin-1-ylbenzamide?
3-amino-2-methyl-N-piperidin-1-ylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 83012797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).