N-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide

C14H21N3O — CID 55156325

IUPACN-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide
SMILESCC1(C)CCN(C(=O)Nc2cccc(N)c2)CC1
InChIInChI=1S/C14H21N3O/c1-14(2)6-8-17(9-7-14)13(18)16-12-5-3-4-11(15)10-12/h3-5,10H,6-9,15H2,1-2H3,(H,16,18)
InChIKeyQTANMWJXPYCQOX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.92
Rot. Bonds1

About N-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide

N-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide (PubChem CID 55156325) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide
PubChem CID55156325
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide
SMILESCC1(C)CCN(C(=O)Nc2cccc(N)c2)CC1
InChIInChI=1S/C14H21N3O/c1-14(2)6-8-17(9-7-14)13(18)16-12-5-3-4-11(15)10-12/h3-5,10H,6-9,15H2,1-2H3,(H,16,18)
InChIKeyQTANMWJXPYCQOX-UHFFFAOYSA-N
XLogP2.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
N-(3-aminophenyl)-5-oxo-1,4-diazepane-1-carboxamide
CID 55134304
N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 81116359
4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride
CID 119765351
N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide
CID 62734496
4-methyl-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 63123386
3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 103727847
N-(3-methoxyphenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
CID 115304682
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080
4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 170456870

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide (CID 55156325) is N-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide is CC1(C)CCN(C(=O)Nc2cccc(N)c2)CC1.
What is the InChIKey of N-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide?
The InChIKey is QTANMWJXPYCQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2)6-8-17(9-7-14)13(18)16-12-5-3-4-11(15)10-12/h3-5,10H,6-9,15H2,1-2H3,(H,16,18).
What are the key properties of N-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide?
N-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 55156325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).