1-acetyl-4-prop-1-en-2-ylpiperidine-3-carboxylic acid

C11H17NO3 — CID 20793421

IUPAC1-acetyl-4-prop-1-en-2-ylpiperidine-3-carboxylic acid
SMILESC=C(C)C1CCN(C(C)=O)CC1C(=O)O
InChIInChI=1S/C11H17NO3/c1-7(2)9-4-5-12(8(3)13)6-10(9)11(14)15/h9-10H,1,4-6H2,2-3H3,(H,14,15)
InChIKeyULYXZCPMNYIRAF-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.13
Rot. Bonds2

About 1-acetyl-4-prop-1-en-2-ylpiperidine-3-carboxylic acid

1-acetyl-4-prop-1-en-2-ylpiperidine-3-carboxylic acid (PubChem CID 20793421) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-acetyl-4-prop-1-en-2-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-4-prop-1-en-2-ylpiperidine-3-carboxylic acid
PubChem CID20793421
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-acetyl-4-prop-1-en-2-ylpiperidine-3-carboxylic acid
SMILESC=C(C)C1CCN(C(C)=O)CC1C(=O)O
InChIInChI=1S/C11H17NO3/c1-7(2)9-4-5-12(8(3)13)6-10(9)11(14)15/h9-10H,1,4-6H2,2-3H3,(H,14,15)
InChIKeyULYXZCPMNYIRAF-UHFFFAOYSA-N
XLogP1.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.13
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

2-[(3R,4S)-1-[(tert-butoxy)carbonyl]-3-ethenylpiperidin-4-yl]acetic acid
CID 57071930
1-(2-Methylbutanoyl)piperidine-3-carboxylic acid
CID 16794986
1-Butanoylpiperidine-3-carboxylic acid
CID 20118758
(3R)-1-(2-cyclobutylacetyl)-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97153435
2-[1-[(2S)-2,4-dimethylpent-4-enoyl]piperidin-4-yl]acetic acid
CID 164643045
(3R)-1-[(E)-3-cyclopropylbut-2-enoyl]piperidine-3-carboxylic acid
CID 129381226
1-(3-Methylbutanoyl)piperidine-3-carboxylic acid
CID 16769536
1-Isobutyrylpiperidine-3-carboxylic acid
CID 16778170
1-(2-Ethylbutanoyl)piperidine-3-carboxylic acid
CID 20114532
1-Pentanoylpiperidine-3-carboxylic acid
CID 20115837
2-(1-Acetylpiperidin-4-yl)propanoic acid
CID 22497213
1-[(2-Methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-3-carboxylic acid
CID 22597959

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-prop-1-en-2-ylpiperidine-3-carboxylic acid?
The IUPAC name of 1-acetyl-4-prop-1-en-2-ylpiperidine-3-carboxylic acid (CID 20793421) is 1-acetyl-4-prop-1-en-2-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-acetyl-4-prop-1-en-2-ylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-acetyl-4-prop-1-en-2-ylpiperidine-3-carboxylic acid is C=C(C)C1CCN(C(C)=O)CC1C(=O)O.
What is the InChIKey of 1-acetyl-4-prop-1-en-2-ylpiperidine-3-carboxylic acid?
The InChIKey is ULYXZCPMNYIRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7(2)9-4-5-12(8(3)13)6-10(9)11(14)15/h9-10H,1,4-6H2,2-3H3,(H,14,15).
What are the key properties of 1-acetyl-4-prop-1-en-2-ylpiperidine-3-carboxylic acid?
1-acetyl-4-prop-1-en-2-ylpiperidine-3-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-prop-1-en-2-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 20793421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).