(2S)-1-tert-butyl-N-(2,6-dimethylphenyl)-4-oxopiperidine-2-carboxamide

C18H26N2O2 — CID 156775847

IUPAC(2S)-1-tert-butyl-N-(2,6-dimethylphenyl)-4-oxopiperidine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)CCN1C(C)(C)C
InChIInChI=1S/C18H26N2O2/c1-12-7-6-8-13(2)16(12)19-17(22)15-11-14(21)9-10-20(15)18(3,4)5/h6-8,15H,9-11H2,1-5H3,(H,19,22)/t15-/m0/s1
InChIKeyHPPIWCFNATZHSG-HNNXBMFYSA-N
MW302.42 g/mol
LogP3.07
Rot. Bonds2

About (2S)-1-tert-butyl-N-(2,6-dimethylphenyl)-4-oxopiperidine-2-carboxamide

(2S)-1-tert-butyl-N-(2,6-dimethylphenyl)-4-oxopiperidine-2-carboxamide (PubChem CID 156775847) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (2S)-1-tert-butyl-N-(2,6-dimethylphenyl)-4-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-tert-butyl-N-(2,6-dimethylphenyl)-4-oxopiperidine-2-carboxamide
PubChem CID156775847
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(2S)-1-tert-butyl-N-(2,6-dimethylphenyl)-4-oxopiperidine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)CCN1C(C)(C)C
InChIInChI=1S/C18H26N2O2/c1-12-7-6-8-13(2)16(12)19-17(22)15-11-14(21)9-10-20(15)18(3,4)5/h6-8,15H,9-11H2,1-5H3,(H,19,22)/t15-/m0/s1
InChIKeyHPPIWCFNATZHSG-HNNXBMFYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-[(2,6-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797692
2-tert-butyl-2-[(2,6-dimethylphenyl)carbamoyl]-4-oxopiperidine-1-carboxylic acid
CID 175154589
(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-phenylpiperidine-4-carboxamide
CID 17152337
(2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide
CID 125331278
1-N-tert-butyl-2-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139597
(2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide
CID 151727892
1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
CID 174852348
(2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1443541
tert-butyl (2S)-2-[(2,6-dimethylphenyl)carbamoyl]-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 156775878
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;chloride;hydrate
CID 170923314

Frequently Asked Questions

What is the IUPAC name of (2S)-1-tert-butyl-N-(2,6-dimethylphenyl)-4-oxopiperidine-2-carboxamide?
The IUPAC name of (2S)-1-tert-butyl-N-(2,6-dimethylphenyl)-4-oxopiperidine-2-carboxamide (CID 156775847) is (2S)-1-tert-butyl-N-(2,6-dimethylphenyl)-4-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-tert-butyl-N-(2,6-dimethylphenyl)-4-oxopiperidine-2-carboxamide?
The canonical SMILES for (2S)-1-tert-butyl-N-(2,6-dimethylphenyl)-4-oxopiperidine-2-carboxamide is Cc1cccc(C)c1NC(=O)[C@@H]1CC(=O)CCN1C(C)(C)C.
What is the InChIKey of (2S)-1-tert-butyl-N-(2,6-dimethylphenyl)-4-oxopiperidine-2-carboxamide?
The InChIKey is HPPIWCFNATZHSG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12-7-6-8-13(2)16(12)19-17(22)15-11-14(21)9-10-20(15)18(3,4)5/h6-8,15H,9-11H2,1-5H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (2S)-1-tert-butyl-N-(2,6-dimethylphenyl)-4-oxopiperidine-2-carboxamide?
(2S)-1-tert-butyl-N-(2,6-dimethylphenyl)-4-oxopiperidine-2-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-tert-butyl-N-(2,6-dimethylphenyl)-4-oxopiperidine-2-carboxamide is sourced from PubChem (CID 156775847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).