3-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]propanoic acid

C12H20N2O3 — CID 62216190

IUPAC3-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESC=CCNC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C12H20N2O3/c1-2-7-13-12(17)14-8-5-10(6-9-14)3-4-11(15)16/h2,10H,1,3-9H2,(H,13,17)(H,15,16)
InChIKeyWSBHXSCSPZUXRI-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.46
Rot. Bonds5

About 3-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]propanoic acid

3-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]propanoic acid (PubChem CID 62216190) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]propanoic acid
PubChem CID62216190
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESC=CCNC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C12H20N2O3/c1-2-7-13-12(17)14-8-5-10(6-9-14)3-4-11(15)16/h2,10H,1,3-9H2,(H,13,17)(H,15,16)
InChIKeyWSBHXSCSPZUXRI-UHFFFAOYSA-N
XLogP1.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[1-(prop-2-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
3-[1-(3,3,3-Trifluoropropylcarbamoyl)piperidin-4-yl]propanoic acid
CID 63227814
3-[1-(2,2-Difluoroethylcarbamoyl)piperidin-4-yl]propanoic acid
CID 115408083
3-[1-(4,4,4-Trifluorobutylcarbamoyl)piperidin-4-yl]propanoic acid
CID 115521203
6-(Prop-2-enylcarbamoylamino)hexanoic acid
CID 61193746
6-((3R,5S)-3,5-dimethylpiperidine-1-carboxamido)hexanoic acid
CID 17598134
6-{[(4-Carbamoylpiperidin-1-yl)carbonyl]amino}hexanoic acid
CID 17600612
(3R)-1-(prop-2-enylcarbamoyl)piperidine-3-carboxylic acid
CID 28511974
(3S)-1-(prop-2-enylcarbamoyl)piperidine-3-carboxylic acid
CID 28511977
1-(Prop-2-enylcarbamoyl)piperidine-4-carboxylic acid
CID 28512933
6-[[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid
CID 28934315

Frequently Asked Questions

What is the IUPAC name of 3-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]propanoic acid (CID 62216190) is 3-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]propanoic acid is C=CCNC(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]propanoic acid?
The InChIKey is WSBHXSCSPZUXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-7-13-12(17)14-8-5-10(6-9-14)3-4-11(15)16/h2,10H,1,3-9H2,(H,13,17)(H,15,16).
What are the key properties of 3-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]propanoic acid?
3-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]propanoic acid has a molecular weight of 240.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62216190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).