2-tert-butyl-2-[(2,6-dimethylphenyl)carbamoyl]-4-oxopiperidine-1-carboxylic acid

C19H26N2O4 — CID 175154589

IUPAC2-tert-butyl-2-[(2,6-dimethylphenyl)carbamoyl]-4-oxopiperidine-1-carboxylic acid
SMILESCc1cccc(C)c1NC(=O)C1(C(C)(C)C)CC(=O)CCN1C(=O)O
InChIInChI=1S/C19H26N2O4/c1-12-7-6-8-13(2)15(12)20-16(23)19(18(3,4)5)11-14(22)9-10-21(19)17(24)25/h6-8H,9-11H2,1-5H3,(H,20,23)(H,24,25)
InChIKeyUFLGCQFUSDNJTH-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.37
Rot. Bonds2

About 2-tert-butyl-2-[(2,6-dimethylphenyl)carbamoyl]-4-oxopiperidine-1-carboxylic acid

2-tert-butyl-2-[(2,6-dimethylphenyl)carbamoyl]-4-oxopiperidine-1-carboxylic acid (PubChem CID 175154589) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-tert-butyl-2-[(2,6-dimethylphenyl)carbamoyl]-4-oxopiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-2-[(2,6-dimethylphenyl)carbamoyl]-4-oxopiperidine-1-carboxylic acid
PubChem CID175154589
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-tert-butyl-2-[(2,6-dimethylphenyl)carbamoyl]-4-oxopiperidine-1-carboxylic acid
SMILESCc1cccc(C)c1NC(=O)C1(C(C)(C)C)CC(=O)CCN1C(=O)O
InChIInChI=1S/C19H26N2O4/c1-12-7-6-8-13(2)15(12)20-16(23)19(18(3,4)5)11-14(22)9-10-21(19)17(24)25/h6-8H,9-11H2,1-5H3,(H,20,23)(H,24,25)
InChIKeyUFLGCQFUSDNJTH-UHFFFAOYSA-N
XLogP3.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-2-[(2,6-dimethylphenyl)carbamoyl]-4-oxopiperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-tert-butyl-N-(2,6-dimethylphenyl)-4-oxopiperidine-2-carboxamide
CID 156775847
2-tert-butyl-4-oxo-2-propan-2-ylpiperidine-1-carboxylic acid
CID 66755801
N-(2,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropanamide;hydrochloride
CID 174853192
(1S,8aS)-1-tert-butyl-1-(2,3-dimethylphenyl)-6-oxo-4,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid
CID 129185193
tert-butyl (2S)-2-[(2,6-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797692
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
(2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1443541
1-(1,3-dimethyl-4-oxoimidazolidin-2-yl)-3-(2,6-dimethylphenyl)urea
CID 150855442
4-acetyl-N-(2,6-dimethylphenyl)piperazine-1-carbothioamide
CID 23962507
1-(2-aminocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 70380203
N-(2,6-dimethylphenyl)-3-methyl-4-(2-methylpropyl)-5-oxothiomorpholine-3-carboxamide
CID 53383057
1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325397

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-[(2,6-dimethylphenyl)carbamoyl]-4-oxopiperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-2-[(2,6-dimethylphenyl)carbamoyl]-4-oxopiperidine-1-carboxylic acid (CID 175154589) is 2-tert-butyl-2-[(2,6-dimethylphenyl)carbamoyl]-4-oxopiperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-2-[(2,6-dimethylphenyl)carbamoyl]-4-oxopiperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-2-[(2,6-dimethylphenyl)carbamoyl]-4-oxopiperidine-1-carboxylic acid is Cc1cccc(C)c1NC(=O)C1(C(C)(C)C)CC(=O)CCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-2-[(2,6-dimethylphenyl)carbamoyl]-4-oxopiperidine-1-carboxylic acid?
The InChIKey is UFLGCQFUSDNJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-12-7-6-8-13(2)15(12)20-16(23)19(18(3,4)5)11-14(22)9-10-21(19)17(24)25/h6-8H,9-11H2,1-5H3,(H,20,23)(H,24,25).
What are the key properties of 2-tert-butyl-2-[(2,6-dimethylphenyl)carbamoyl]-4-oxopiperidine-1-carboxylic acid?
2-tert-butyl-2-[(2,6-dimethylphenyl)carbamoyl]-4-oxopiperidine-1-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-[(2,6-dimethylphenyl)carbamoyl]-4-oxopiperidine-1-carboxylic acid is sourced from PubChem (CID 175154589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).