4-[4-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid

C14H24N2O4 — CID 65302523

IUPAC4-[4-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCNC(=O)C1CCN(C(=O)CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-4-15-12(18)10-5-7-16(8-6-10)11(17)9-14(2,3)13(19)20/h10H,4-9H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyQBUPZXNGCFXKQQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.86
Rot. Bonds5

About 4-[4-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid

4-[4-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65302523) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[4-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65302523
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[4-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCNC(=O)C1CCN(C(=O)CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-4-15-12(18)10-5-7-16(8-6-10)11(17)9-14(2,3)13(19)20/h10H,4-9H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyQBUPZXNGCFXKQQ-UHFFFAOYSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxycarbonylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65297455
4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65297955
2,2-diethyl-4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutanoic acid
CID 43578427
1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide
CID 64683539
4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid
CID 43437467
3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81369311
4-(3-tert-butylpyrrolidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 113417042
3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 103550405
1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide
CID 81087190
2,2-dimethyl-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 81367181
4-(3-methoxypyrrolidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 103531279
2,2,2-trifluoroethyl 4-(ethylcarbamoyl)piperidine-1-carboxylate
CID 60706892

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[4-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid (CID 65302523) is 4-[4-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[4-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid is CCNC(=O)C1CCN(C(=O)CC(C)(C)C(=O)O)CC1.
What is the InChIKey of 4-[4-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is QBUPZXNGCFXKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-4-15-12(18)10-5-7-16(8-6-10)11(17)9-14(2,3)13(19)20/h10H,4-9H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 4-[4-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid?
4-[4-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65302523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).