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

C13H19N3O — CID 103194412

IUPAC1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2cccc(N)c2)C1
InChIInChI=1S/C13H19N3O/c1-15-13(17)10-4-3-7-16(9-10)12-6-2-5-11(14)8-12/h2,5-6,8,10H,3-4,7,9,14H2,1H3,(H,15,17)
InChIKeyHWEPSRVLNFIACP-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.23
Rot. Bonds2

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

1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103194412) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
PubChem CID103194412
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2cccc(N)c2)C1
InChIInChI=1S/C13H19N3O/c1-15-13(17)10-4-3-7-16(9-10)12-6-2-5-11(14)8-12/h2,5-6,8,10H,3-4,7,9,14H2,1H3,(H,15,17)
InChIKeyHWEPSRVLNFIACP-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-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194310
1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 103195931
1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194575
1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide
CID 103196319
1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide
CID 103196506
1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194316
N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 166604954
1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103194356
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide
CID 107105854
1-(4-aminophenyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 82044943
1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide
CID 103194330
1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194586

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide (CID 103194412) is 1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2cccc(N)c2)C1.
What is the InChIKey of 1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is HWEPSRVLNFIACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15-13(17)10-4-3-7-16(9-10)12-6-2-5-11(14)8-12/h2,5-6,8,10H,3-4,7,9,14H2,1H3,(H,15,17).
What are the key properties of 1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide?
1-(3-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-(3-aminophenyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).