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

C15H25NO3 — CID 132970625

IUPAC4-(2-ethenylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid
SMILESC=CC1CCCCN1C(=O)CC(CC)(CC)C(=O)O
InChIInChI=1S/C15H25NO3/c1-4-12-9-7-8-10-16(12)13(17)11-15(5-2,6-3)14(18)19/h4,12H,1,5-11H2,2-3H3,(H,18,19)
InChIKeyPZBCUCRDRQZEDI-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.83
Rot. Bonds6

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

4-(2-ethenylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid (PubChem CID 132970625) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(2-ethenylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2-ethenylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid
PubChem CID132970625
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-(2-ethenylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid
SMILESC=CC1CCCCN1C(=O)CC(CC)(CC)C(=O)O
InChIInChI=1S/C15H25NO3/c1-4-12-9-7-8-10-16(12)13(17)11-15(5-2,6-3)14(18)19/h4,12H,1,5-11H2,2-3H3,(H,18,19)
InChIKeyPZBCUCRDRQZEDI-UHFFFAOYSA-N
XLogP2.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethenylazocan-1-yl)propan-1-one
CID 132518905
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-diethyl-4-oxobutanoic acid
CID 102725623
1-(2-ethenylpiperidin-1-yl)ethenol
CID 10630712
1-[(2S)-2-ethenylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 134571035
2,2-diethyl-4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid
CID 43437398
4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid
CID 43437467
1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 102330307
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutanoic acid
CID 62270681
1-(2-ethylpiperidin-1-yl)pent-4-en-1-one
CID 137321053
2-ethenyl-1-(3-ethoxybuta-1,3-dien-2-yl)piperidine
CID 134380103
1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one
CID 45113887
2,2-diethyl-4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutanoic acid
CID 43578427

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethenylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid?
The IUPAC name of 4-(2-ethenylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid (CID 132970625) is 4-(2-ethenylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(2-ethenylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(2-ethenylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid is C=CC1CCCCN1C(=O)CC(CC)(CC)C(=O)O.
What is the InChIKey of 4-(2-ethenylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid?
The InChIKey is PZBCUCRDRQZEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-12-9-7-8-10-16(12)13(17)11-15(5-2,6-3)14(18)19/h4,12H,1,5-11H2,2-3H3,(H,18,19).
What are the key properties of 4-(2-ethenylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid?
4-(2-ethenylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid has a molecular weight of 267.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethenylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid is sourced from PubChem (CID 132970625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).