2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid

C19H26N2O4 — CID 99774161

IUPAC2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid
SMILESC[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)CC(C)(C)C(=O)O)cc1
InChIInChI=1S/C19H26N2O4/c1-13-6-4-5-11-21(13)17(23)14-7-9-15(10-8-14)20-16(22)12-19(2,3)18(24)25/h7-10,13H,4-6,11-12H2,1-3H3,(H,20,22)(H,24,25)/t13-/m1/s1
InChIKeyUEXJDECKRHBZRS-CYBMUJFWSA-N
MW346.43 g/mol
LogP3.14
Rot. Bonds5

About 2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid

2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid (PubChem CID 99774161) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid
PubChem CID99774161
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid
SMILESC[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)CC(C)(C)C(=O)O)cc1
InChIInChI=1S/C19H26N2O4/c1-13-6-4-5-11-21(13)17(23)14-7-9-15(10-8-14)20-16(22)12-19(2,3)18(24)25/h7-10,13H,4-6,11-12H2,1-3H3,(H,20,22)(H,24,25)/t13-/m1/s1
InChIKeyUEXJDECKRHBZRS-CYBMUJFWSA-N
XLogP3.14
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid with MolForge

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Related Compounds

4-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133661
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
4-[[4-(2-methylpiperidine-1-carbonyl)anilino]methyl]benzoic acid
CID 122033520
2-(cyclopropylmethylamino)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119712985
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride
CID 119712957
cis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122065358
2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 119283677
1-[2-(2-hydroxyethoxy)ethyl]-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]urea
CID 95312775
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
N-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119283670

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid?
The IUPAC name of 2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid (CID 99774161) is 2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid is C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)CC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid?
The InChIKey is UEXJDECKRHBZRS-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13-6-4-5-11-21(13)17(23)14-7-9-15(10-8-14)20-16(22)12-19(2,3)18(24)25/h7-10,13H,4-6,11-12H2,1-3H3,(H,20,22)(H,24,25)/t13-/m1/s1.
What are the key properties of 2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid?
2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid has a molecular weight of 346.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid is sourced from PubChem (CID 99774161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).