4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid

C20H28N2O4 — CID 102554567

IUPAC4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)CC(C)(C)C(=O)O)C1
InChIInChI=1S/C20H28N2O4/c1-13-9-14(2)12-22(11-13)18(24)15-7-5-6-8-16(15)21-17(23)10-20(3,4)19(25)26/h5-8,13-14H,9-12H2,1-4H3,(H,21,23)(H,25,26)
InChIKeyGNYRRULWMLFZPA-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.24
Rot. Bonds5

About 4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid

4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 102554567) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID102554567
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)CC(C)(C)C(=O)O)C1
InChIInChI=1S/C20H28N2O4/c1-13-9-14(2)12-22(11-13)18(24)15-7-5-6-8-16(15)21-17(23)10-20(3,4)19(25)26/h5-8,13-14H,9-12H2,1-4H3,(H,21,23)(H,25,26)
InChIKeyGNYRRULWMLFZPA-UHFFFAOYSA-N
XLogP3.24
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]-2-oxoethyl]-2-phenylacetamide
CID 51942969
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119717948
3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 55677286
N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55677137
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2-nitroanilino)propanamide
CID 46442916
N-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide
CID 36864784
N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 51942966
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119717968
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119717975
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide
CID 60547227
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide
CID 55676703
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 43048910

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid (CID 102554567) is 4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid is CC1CC(C)CN(C(=O)c2ccccc2NC(=O)CC(C)(C)C(=O)O)C1.
What is the InChIKey of 4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is GNYRRULWMLFZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-13-9-14(2)12-22(11-13)18(24)15-7-5-6-8-16(15)21-17(23)10-20(3,4)19(25)26/h5-8,13-14H,9-12H2,1-4H3,(H,21,23)(H,25,26).
What are the key properties of 4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid?
4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 360.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 102554567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).