(2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide

C17H24N2O2 — CID 151727892

IUPAC(2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide
SMILESCC(=O)CN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C17H24N2O2/c1-12-7-6-8-13(2)16(12)18-17(21)15-9-4-5-10-19(15)11-14(3)20/h6-8,15H,4-5,9-11H2,1-3H3,(H,18,21)/t15-/m0/s1
InChIKeyRJYRADMKPUNCCV-HNNXBMFYSA-N
MW288.39 g/mol
LogP2.69
Rot. Bonds4

About (2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide

(2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide (PubChem CID 151727892) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide
PubChem CID151727892
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide
SMILESCC(=O)CN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C17H24N2O2/c1-12-7-6-8-13(2)16(12)18-17(21)15-9-4-5-10-19(15)11-14(3)20/h6-8,15H,4-5,9-11H2,1-3H3,(H,18,21)/t15-/m0/s1
InChIKeyRJYRADMKPUNCCV-HNNXBMFYSA-N
XLogP2.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475
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
(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride
CID 66586222
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid
CID 66615074
(2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide
CID 125331278

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide (CID 151727892) is (2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide is CC(=O)CN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.
What is the InChIKey of (2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide?
The InChIKey is RJYRADMKPUNCCV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-7-6-8-13(2)16(12)18-17(21)15-9-4-5-10-19(15)11-14(3)20/h6-8,15H,4-5,9-11H2,1-3H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide?
(2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide is sourced from PubChem (CID 151727892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).