4-(1-prop-2-enoylpiperidin-4-yl)butanoic acid

C12H19NO3 — CID 126675169

IUPAC4-(1-prop-2-enoylpiperidin-4-yl)butanoic acid
SMILESC=CC(=O)N1CCC(CCCC(=O)O)CC1
InChIInChI=1S/C12H19NO3/c1-2-11(14)13-8-6-10(7-9-13)4-3-5-12(15)16/h2,10H,1,3-9H2,(H,15,16)
InChIKeyPRGXSAHRAKTIJK-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.67
Rot. Bonds5

About 4-(1-prop-2-enoylpiperidin-4-yl)butanoic acid

4-(1-prop-2-enoylpiperidin-4-yl)butanoic acid (PubChem CID 126675169) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(1-prop-2-enoylpiperidin-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(1-prop-2-enoylpiperidin-4-yl)butanoic acid
PubChem CID126675169
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-(1-prop-2-enoylpiperidin-4-yl)butanoic acid
SMILESC=CC(=O)N1CCC(CCCC(=O)O)CC1
InChIInChI=1S/C12H19NO3/c1-2-11(14)13-8-6-10(7-9-13)4-3-5-12(15)16/h2,10H,1,3-9H2,(H,15,16)
InChIKeyPRGXSAHRAKTIJK-UHFFFAOYSA-N
XLogP1.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-(1-prop-2-enoylpiperidin-4-yl)butanoic 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

4-(N-Maleimidomethyl)cyclohexane-1-carboxylic Acid
CID 11548799
3-(1-(Prop-2-enoyl)piperidin-4-yl)propanoic acid
CID 62217305
3-(Prop-2-enoyl)-3-azaspiro[5.5]undecane-9-carboxylic acid
CID 139015571
7-(Prop-2-enoyl)-7-azaspiro(3.5)nonane-2-carboxylic acid
CID 155822726
2-(1-(Prop-2-enoyl)piperidin-4-yl)cyclopentane-1-carboxylic acid
CID 155822733
4-(Maleimidoethyl)cyclohexane carboxylic acid
CID 54129126
4-[Prop-2-enyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673099
2-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]acetic acid
CID 94539592
4-(1-Acetyl-4-piperidinyl)butyric acid
CID 10059069
4-[(Prop-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 18757083
4-[(2,5-Dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid;hydrochloride
CID 24763399
4-[1-(Oxomethyl)piperidin-4-yl]butanoic acid;tungsten
CID 60083802

Frequently Asked Questions

What is the IUPAC name of 4-(1-prop-2-enoylpiperidin-4-yl)butanoic acid?
The IUPAC name of 4-(1-prop-2-enoylpiperidin-4-yl)butanoic acid (CID 126675169) is 4-(1-prop-2-enoylpiperidin-4-yl)butanoic acid.
What is the SMILES notation for 4-(1-prop-2-enoylpiperidin-4-yl)butanoic acid?
The canonical SMILES for 4-(1-prop-2-enoylpiperidin-4-yl)butanoic acid is C=CC(=O)N1CCC(CCCC(=O)O)CC1.
What is the InChIKey of 4-(1-prop-2-enoylpiperidin-4-yl)butanoic acid?
The InChIKey is PRGXSAHRAKTIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-11(14)13-8-6-10(7-9-13)4-3-5-12(15)16/h2,10H,1,3-9H2,(H,15,16).
What are the key properties of 4-(1-prop-2-enoylpiperidin-4-yl)butanoic acid?
4-(1-prop-2-enoylpiperidin-4-yl)butanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-prop-2-enoylpiperidin-4-yl)butanoic acid is sourced from PubChem (CID 126675169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).