1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide

C13H19N3O2 — CID 80739485

IUPAC1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide
SMILESCOc1cc(N)cc(N2CCCCC2C(N)=O)c1
InChIInChI=1S/C13H19N3O2/c1-18-11-7-9(14)6-10(8-11)16-5-3-2-4-12(16)13(15)17/h6-8,12H,2-5,14H2,1H3,(H2,15,17)
InChIKeyFCKNLXJZQOCSHS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.12
Rot. Bonds3

About 1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide

1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide (PubChem CID 80739485) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide
PubChem CID80739485
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide
SMILESCOc1cc(N)cc(N2CCCCC2C(N)=O)c1
InChIInChI=1S/C13H19N3O2/c1-18-11-7-9(14)6-10(8-11)16-5-3-2-4-12(16)13(15)17/h6-8,12H,2-5,14H2,1H3,(H2,15,17)
InChIKeyFCKNLXJZQOCSHS-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide (CID 80739485) is 1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide is COc1cc(N)cc(N2CCCCC2C(N)=O)c1.
What is the InChIKey of 1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide?
The InChIKey is FCKNLXJZQOCSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-11-7-9(14)6-10(8-11)16-5-3-2-4-12(16)13(15)17/h6-8,12H,2-5,14H2,1H3,(H2,15,17).
What are the key properties of 1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide?
1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.12, 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-2-carboxamide is sourced from PubChem (CID 80739485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).