(2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide

C17H26N2O — CID 125331278

IUPAC(2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)[C@H]1CCCCN1C(C)C
InChIInChI=1S/C17H26N2O/c1-12(2)19-11-6-5-10-15(19)17(20)18-16-13(3)8-7-9-14(16)4/h7-9,12,15H,5-6,10-11H2,1-4H3,(H,18,20)/t15-/m1/s1
InChIKeyDLKZMUOUUWXTAZ-OAHLLOKOSA-N
MW274.41 g/mol
LogP3.50
Rot. Bonds3

About (2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide

(2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide (PubChem CID 125331278) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide
PubChem CID125331278
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)[C@H]1CCCCN1C(C)C
InChIInChI=1S/C17H26N2O/c1-12(2)19-11-6-5-10-15(19)17(20)18-16-13(3)8-7-9-14(16)4/h7-9,12,15H,5-6,10-11H2,1-4H3,(H,18,20)/t15-/m1/s1
InChIKeyDLKZMUOUUWXTAZ-OAHLLOKOSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride
CID 66586222
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475
N-(2,6-dimethylphenyl)-1-prop-1-ynylpiperidine-2-carboxamide;hydrochloride
CID 175167521
(2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide
CID 151727892
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CID 77242336
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;chloride;hydrate
CID 170923314
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 6918111
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride
CID 154730536
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol
CID 66709536
N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 174853104
(2S)-N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 156775866
1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
CID 174852348

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide (CID 125331278) is (2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide is Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C(C)C.
What is the InChIKey of (2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide?
The InChIKey is DLKZMUOUUWXTAZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)19-11-6-5-10-15(19)17(20)18-16-13(3)8-7-9-14(16)4/h7-9,12,15H,5-6,10-11H2,1-4H3,(H,18,20)/t15-/m1/s1.
What are the key properties of (2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide?
(2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 125331278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).