1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide

C14H21N3O — CID 89155190

IUPAC1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCCN1c1ccc(N)cc1
InChIInChI=1S/C14H21N3O/c1-16(2)14(18)13-5-3-4-10-17(13)12-8-6-11(15)7-9-12/h6-9,13H,3-5,10,15H2,1-2H3
InChIKeyACEUILQWYHHEFO-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.72
Rot. Bonds2

About 1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide

1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide (PubChem CID 89155190) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide
PubChem CID89155190
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCCN1c1ccc(N)cc1
InChIInChI=1S/C14H21N3O/c1-16(2)14(18)13-5-3-4-10-17(13)12-8-6-11(15)7-9-12/h6-9,13H,3-5,10,15H2,1-2H3
InChIKeyACEUILQWYHHEFO-UHFFFAOYSA-N
XLogP1.72
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide (CID 89155190) is 1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide is CN(C)C(=O)C1CCCCN1c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide?
The InChIKey is ACEUILQWYHHEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(2)14(18)13-5-3-4-10-17(13)12-8-6-11(15)7-9-12/h6-9,13H,3-5,10,15H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide?
1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 89155190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).