1-amino-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide

C14H21N3O3 — CID 2894140

IUPAC1-amino-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCCN2N)cc1OC
InChIInChI=1S/C14H21N3O3/c1-19-12-7-6-10(9-13(12)20-2)16-14(18)11-5-3-4-8-17(11)15/h6-7,9,11H,3-5,8,15H2,1-2H3,(H,16,18)
InChIKeyVCCLMWQUDILKTA-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.37
Rot. Bonds4

About 1-amino-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide

1-amino-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide (PubChem CID 2894140) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-amino-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide
PubChem CID2894140
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-amino-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCCN2N)cc1OC
InChIInChI=1S/C14H21N3O3/c1-19-12-7-6-10(9-13(12)20-2)16-14(18)11-5-3-4-8-17(11)15/h6-7,9,11H,3-5,8,15H2,1-2H3,(H,16,18)
InChIKeyVCCLMWQUDILKTA-UHFFFAOYSA-N
XLogP1.37
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-amino-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide?
The IUPAC name of 1-amino-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide (CID 2894140) is 1-amino-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-amino-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-amino-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide is COc1ccc(NC(=O)C2CCCCN2N)cc1OC.
What is the InChIKey of 1-amino-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide?
The InChIKey is VCCLMWQUDILKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-19-12-7-6-10(9-13(12)20-2)16-14(18)11-5-3-4-8-17(11)15/h6-7,9,11H,3-5,8,15H2,1-2H3,(H,16,18).
What are the key properties of 1-amino-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide?
1-amino-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 2894140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).