(2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide

C14H21N3O — CID 93056889

IUPAC(2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C14H21N3O/c1-10-4-3-5-11(2)17(10)14(18)16-13-8-6-12(15)7-9-13/h6-11H,3-5,15H2,1-2H3,(H,16,18)/t10-,11+
InChIKeyUHPWITKSGQTPNQ-PHIMTYICSA-N
MW247.34 g/mol
LogP3.06
Rot. Bonds1

About (2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide

(2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide (PubChem CID 93056889) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide
PubChem CID93056889
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C14H21N3O/c1-10-4-3-5-11(2)17(10)14(18)16-13-8-6-12(15)7-9-13/h6-11H,3-5,15H2,1-2H3,(H,16,18)/t10-,11+
InChIKeyUHPWITKSGQTPNQ-PHIMTYICSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61191051
2,6-dimethyl-N-pyridin-4-ylpiperidine-1-carboxamide
CID 110706464
(4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 30115915
N-(3-hydroxyphenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 108895797
2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 16784397
cyclobutyl N-(4-aminophenyl)carbamate
CID 62139706
N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 43468929
N-(4-aminophenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 63214737
(2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 41097747
1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea
CID 63279412
(2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide
CID 104968384
N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 62369641

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide?
The IUPAC name of (2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide (CID 93056889) is (2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide is C[C@@H]1CCC[C@H](C)N1C(=O)Nc1ccc(N)cc1.
What is the InChIKey of (2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide?
The InChIKey is UHPWITKSGQTPNQ-PHIMTYICSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-4-3-5-11(2)17(10)14(18)16-13-8-6-12(15)7-9-13/h6-11H,3-5,15H2,1-2H3,(H,16,18)/t10-,11+.
What are the key properties of (2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide?
(2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 93056889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).