2,2-diethyl-4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutanoic acid

C15H26N2O4 — CID 43578427

IUPAC2,2-diethyl-4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)N1CCC(C(=O)NC)CC1)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-4-15(5-2,14(20)21)10-12(18)17-8-6-11(7-9-17)13(19)16-3/h11H,4-10H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyOSFMZSGTAMNDPC-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.25
Rot. Bonds6

About 2,2-diethyl-4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutanoic acid

2,2-diethyl-4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutanoic acid (PubChem CID 43578427) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2,2-diethyl-4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutanoic acid
PubChem CID43578427
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2,2-diethyl-4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)N1CCC(C(=O)NC)CC1)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-4-15(5-2,14(20)21)10-12(18)17-8-6-11(7-9-17)13(19)16-3/h11H,4-10H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyOSFMZSGTAMNDPC-UHFFFAOYSA-N
XLogP1.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-diethyl-4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 2,2-diethyl-4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutanoic acid (CID 43578427) is 2,2-diethyl-4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-diethyl-4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 2,2-diethyl-4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutanoic acid is CCC(CC)(CC(=O)N1CCC(C(=O)NC)CC1)C(=O)O.
What is the InChIKey of 2,2-diethyl-4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutanoic acid?
The InChIKey is OSFMZSGTAMNDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-4-15(5-2,14(20)21)10-12(18)17-8-6-11(7-9-17)13(19)16-3/h11H,4-10H2,1-3H3,(H,16,19)(H,20,21).
What are the key properties of 2,2-diethyl-4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutanoic acid?
2,2-diethyl-4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 43578427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).