1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide

C13H19N3O2 — CID 80726633

IUPAC1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cc(N)cc(N2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C13H19N3O2/c1-18-12-6-10(14)5-11(7-12)16-4-2-3-9(8-16)13(15)17/h5-7,9H,2-4,8,14H2,1H3,(H2,15,17)
InChIKeyANCCUSSWQXKJHF-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.98
Rot. Bonds3

About 1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide

1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 80726633) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide
PubChem CID80726633
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cc(N)cc(N2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C13H19N3O2/c1-18-12-6-10(14)5-11(7-12)16-4-2-3-9(8-16)13(15)17/h5-7,9H,2-4,8,14H2,1H3,(H2,15,17)
InChIKeyANCCUSSWQXKJHF-UHFFFAOYSA-N
XLogP0.98
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-5-sulfamoylphenyl)piperidine-3-carboxamide
CID 60988108
1-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 117008258
3-(azepan-1-yl)-5-methoxyaniline
CID 80725876
1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide
CID 80739485
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-methoxyaniline
CID 80737825
1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 51120625
3-methoxy-5-[3-(methoxymethyl)pyrrolidin-1-yl]aniline
CID 80735368
methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 117028088
1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide
CID 117008153
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide
CID 43123574
1-(7-methoxy-4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 172900595

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide (CID 80726633) is 1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide is COc1cc(N)cc(N2CCCC(C(N)=O)C2)c1.
What is the InChIKey of 1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is ANCCUSSWQXKJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-12-6-10(14)5-11(7-12)16-4-2-3-9(8-16)13(15)17/h5-7,9H,2-4,8,14H2,1H3,(H2,15,17).
What are the key properties of 1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide?
1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 80726633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).