4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid

C14H24N2O4 — CID 43437467

IUPAC4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)N1CCC(C(N)=O)CC1)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-3-14(4-2,13(19)20)9-11(17)16-7-5-10(6-8-16)12(15)18/h10H,3-9H2,1-2H3,(H2,15,18)(H,19,20)
InChIKeyDHCKUCRZYHAARK-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.99
Rot. Bonds6

About 4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid

4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid (PubChem CID 43437467) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid
PubChem CID43437467
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)N1CCC(C(N)=O)CC1)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-3-14(4-2,13(19)20)9-11(17)16-7-5-10(6-8-16)12(15)18/h10H,3-9H2,1-2H3,(H2,15,18)(H,19,20)
InChIKeyDHCKUCRZYHAARK-UHFFFAOYSA-N
XLogP0.99
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid
CID 43437398
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-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 65302523
4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 2826389
1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide
CID 119137408
4-(4,4-dimethylazepan-1-yl)-2,2-diethyl-4-oxobutanoic acid
CID 65283776
4-(4-methoxycarbonylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65297455
2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 113308752
1-(3-cyclohexylpropanoyl)piperidine-4-carboxamide
CID 17312024
benzene;1-ethylpiperidine-4-carboxamide
CID 91582947
1-(5-hydroxypentanoyl)piperidine-4-carboxamide
CID 79199439

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid?
The IUPAC name of 4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid (CID 43437467) is 4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid is CCC(CC)(CC(=O)N1CCC(C(N)=O)CC1)C(=O)O.
What is the InChIKey of 4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid?
The InChIKey is DHCKUCRZYHAARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-14(4-2,13(19)20)9-11(17)16-7-5-10(6-8-16)12(15)18/h10H,3-9H2,1-2H3,(H2,15,18)(H,19,20).
What are the key properties of 4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid?
4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid is sourced from PubChem (CID 43437467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).