3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid

C13H22N2O3 — CID 113465876

IUPAC3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESC=CCCNC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c1-2-3-8-14-13(18)15-9-6-11(7-10-15)4-5-12(16)17/h2,11H,1,3-10H2,(H,14,18)(H,16,17)
InChIKeyIQIODBNWBTZQOX-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.85
Rot. Bonds6

About 3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid

3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid (PubChem CID 113465876) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid
PubChem CID113465876
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESC=CCCNC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c1-2-3-8-14-13(18)15-9-6-11(7-10-15)4-5-12(16)17/h2,11H,1,3-10H2,(H,14,18)(H,16,17)
InChIKeyIQIODBNWBTZQOX-UHFFFAOYSA-N
XLogP1.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-{1-[(2-Methylpropyl)carbamoyl]piperidin-3-yl}acetic acid
CID 53625439
3-[(3R,4R)-1-carbamoyl-3-ethenylpiperidin-4-yl]propanoic acid
CID 93342073
6-((3R,5S)-3,5-dimethylpiperidine-1-carboxamido)hexanoic acid
CID 17598134
1-(Prop-2-enylcarbamoyl)piperidine-4-carboxylic acid
CID 28512933
6-[[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid
CID 28934315
6-[[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid
CID 28934319
6-{[(3,5-Dimethylpiperidin-1-yl)carbonyl]amino}hexanoic acid
CID 43912841
3-(1-Carbamoyl-3-ethenylpiperidin-4-yl)propanoic acid
CID 44721203
3-[1-[2-(Dimethylamino)ethylcarbamoyl]piperidin-4-yl]propanoic acid
CID 55049612
3-[1-(Cyclopropylmethylcarbamoyl)piperidin-4-yl]propanoic acid
CID 55049659
3-[1-(Cyclobutylmethylcarbamoyl)piperidin-4-yl]propanoic acid
CID 55049706
3-[1-(2-Methylbutylcarbamoyl)piperidin-4-yl]propanoic acid
CID 55108172

Frequently Asked Questions

What is the IUPAC name of 3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid (CID 113465876) is 3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid is C=CCCNC(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid?
The InChIKey is IQIODBNWBTZQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-3-8-14-13(18)15-9-6-11(7-10-15)4-5-12(16)17/h2,11H,1,3-10H2,(H,14,18)(H,16,17).
What are the key properties of 3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid?
3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid has a molecular weight of 254.33 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 113465876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).