1-(5-amino-2-methylphenyl)piperidine-2-carboxamide

C13H19N3O — CID 55091464

IUPAC1-(5-amino-2-methylphenyl)piperidine-2-carboxamide
SMILESCc1ccc(N)cc1N1CCCCC1C(N)=O
InChIInChI=1S/C13H19N3O/c1-9-5-6-10(14)8-12(9)16-7-3-2-4-11(16)13(15)17/h5-6,8,11H,2-4,7,14H2,1H3,(H2,15,17)
InChIKeyOEUYOIRDETWNKP-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.42
Rot. Bonds2

About 1-(5-amino-2-methylphenyl)piperidine-2-carboxamide

1-(5-amino-2-methylphenyl)piperidine-2-carboxamide (PubChem CID 55091464) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(5-amino-2-methylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-amino-2-methylphenyl)piperidine-2-carboxamide
PubChem CID55091464
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(5-amino-2-methylphenyl)piperidine-2-carboxamide
SMILESCc1ccc(N)cc1N1CCCCC1C(N)=O
InChIInChI=1S/C13H19N3O/c1-9-5-6-10(14)8-12(9)16-7-3-2-4-11(16)13(15)17/h5-6,8,11H,2-4,7,14H2,1H3,(H2,15,17)
InChIKeyOEUYOIRDETWNKP-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
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

1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide
CID 54985357
1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103286895
1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide
CID 43123585
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-methylaniline
CID 62589973
(2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 28822622
1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide
CID 79896461
1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide
CID 55039017
1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide
CID 80739485
1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide
CID 54985308
1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 82989882
1-(5-amino-3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 62477721
1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide
CID 63371325

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methylphenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(5-amino-2-methylphenyl)piperidine-2-carboxamide (CID 55091464) is 1-(5-amino-2-methylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(5-amino-2-methylphenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(5-amino-2-methylphenyl)piperidine-2-carboxamide is Cc1ccc(N)cc1N1CCCCC1C(N)=O.
What is the InChIKey of 1-(5-amino-2-methylphenyl)piperidine-2-carboxamide?
The InChIKey is OEUYOIRDETWNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-5-6-10(14)8-12(9)16-7-3-2-4-11(16)13(15)17/h5-6,8,11H,2-4,7,14H2,1H3,(H2,15,17).
What are the key properties of 1-(5-amino-2-methylphenyl)piperidine-2-carboxamide?
1-(5-amino-2-methylphenyl)piperidine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 55091464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).