1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide

C13H19N3O — CID 103194310

IUPAC1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccccc2N)C1
InChIInChI=1S/C13H19N3O/c1-15-13(17)10-5-4-8-16(9-10)12-7-3-2-6-11(12)14/h2-3,6-7,10H,4-5,8-9,14H2,1H3,(H,15,17)
InChIKeyJHIYAHUOSYCSJP-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.23
Rot. Bonds2

About 1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide

1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103194310) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide
PubChem CID103194310
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccccc2N)C1
InChIInChI=1S/C13H19N3O/c1-15-13(17)10-5-4-8-16(9-10)12-7-3-2-6-11(12)14/h2-3,6-7,10H,4-5,8-9,14H2,1H3,(H,15,17)
InChIKeyJHIYAHUOSYCSJP-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
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-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194316
1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide
CID 103194330
1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 103194379
1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194586
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide
CID 103194423
1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194407
1-[3-(2-aminophenyl)propanoyl]-N-methylpiperidine-3-carboxamide
CID 103197591
1-(4-amino-1-methylpyrazol-3-yl)-N-methylpiperidine-3-carboxamide
CID 103194366
N-methyl-1-pyridazin-3-ylpiperidine-3-carboxamide
CID 110269425
3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 103197754

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide (CID 103194310) is 1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2ccccc2N)C1.
What is the InChIKey of 1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is JHIYAHUOSYCSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15-13(17)10-5-4-8-16(9-10)12-7-3-2-6-11(12)14/h2-3,6-7,10H,4-5,8-9,14H2,1H3,(H,15,17).
What are the key properties of 1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide?
1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).