1-(4-aminophenyl)-N-propan-2-ylpiperidine-3-carboxamide

C15H23N3O — CID 82044943

IUPAC1-(4-aminophenyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(c2ccc(N)cc2)C1
InChIInChI=1S/C15H23N3O/c1-11(2)17-15(19)12-4-3-9-18(10-12)14-7-5-13(16)6-8-14/h5-8,11-12H,3-4,9-10,16H2,1-2H3,(H,17,19)
InChIKeyNRWXGUIEWHNUCB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.01
Rot. Bonds3

About 1-(4-aminophenyl)-N-propan-2-ylpiperidine-3-carboxamide

1-(4-aminophenyl)-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 82044943) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID82044943
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(4-aminophenyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(c2ccc(N)cc2)C1
InChIInChI=1S/C15H23N3O/c1-11(2)17-15(19)12-4-3-9-18(10-12)14-7-5-13(16)6-8-14/h5-8,11-12H,3-4,9-10,16H2,1-2H3,(H,17,19)
InChIKeyNRWXGUIEWHNUCB-UHFFFAOYSA-N
XLogP2.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-aminophenyl)-N-propan-2-ylpiperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-cyanophenyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 133278220
(3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
CID 95706399
1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
4-(3-methylazepan-1-yl)aniline
CID 23103826
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
N-[1-(4-aminophenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 21087634
N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 166604954
(3R)-1-methylsulfonyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
CID 95118836
(3S)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 100822017
(3S)-1-(4-nitrophenyl)piperidine-3-carbohydrazide
CID 100618626
1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid
CID 45156917
(3S)-1-methyl-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-3-carboxamide
CID 99970531

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-propan-2-ylpiperidine-3-carboxamide (CID 82044943) is 1-(4-aminophenyl)-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-propan-2-ylpiperidine-3-carboxamide is CC(C)NC(=O)C1CCCN(c2ccc(N)cc2)C1.
What is the InChIKey of 1-(4-aminophenyl)-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is NRWXGUIEWHNUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)17-15(19)12-4-3-9-18(10-12)14-7-5-13(16)6-8-14/h5-8,11-12H,3-4,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of 1-(4-aminophenyl)-N-propan-2-ylpiperidine-3-carboxamide?
1-(4-aminophenyl)-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 82044943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).