4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid

C12H19NO3 — CID 63123464

IUPAC4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid
SMILESC=CCCC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H19NO3/c1-3-4-5-10(14)13-8-6-12(2,7-9-13)11(15)16/h3H,1,4-9H2,2H3,(H,15,16)
InChIKeyVGZDYVOCNCJSCA-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.67
Rot. Bonds4

About 4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid

4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid (PubChem CID 63123464) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid
PubChem CID63123464
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid
SMILESC=CCCC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H19NO3/c1-3-4-5-10(14)13-8-6-12(2,7-9-13)11(15)16/h3H,1,4-9H2,2H3,(H,15,16)
InChIKeyVGZDYVOCNCJSCA-UHFFFAOYSA-N
XLogP1.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.67
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

4-methyl-1-pentanoylpiperidine-4-carboxylic acid
CID 63123206
1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid
CID 113354340
1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123434
ethane;1-piperidin-1-ylpent-4-en-1-one
CID 144506821
1-(7-aminoheptanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123998
4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid
CID 63123860
1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid
CID 63123330
1-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one
CID 125143336
1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123576
3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145628
1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid
CID 115924013
1-pent-4-enoylpyrrolidine-3-carboxylic acid
CID 63030781

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid (CID 63123464) is 4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid is C=CCCC(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid?
The InChIKey is VGZDYVOCNCJSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-4-5-10(14)13-8-6-12(2,7-9-13)11(15)16/h3H,1,4-9H2,2H3,(H,15,16).
What are the key properties of 4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid?
4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).