prop-2-enyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate

C13H19NO3 — CID 78832432

IUPACprop-2-enyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
SMILESC=CCOC(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H19NO3/c1-2-9-17-13(16)11-5-7-14(8-6-11)12(15)10-3-4-10/h2,10-11H,1,3-9H2
InChIKeyPZSMELDRVWQMBY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.36
Rot. Bonds4

About prop-2-enyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate

prop-2-enyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate (PubChem CID 78832432) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is prop-2-enyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
PubChem CID78832432
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameprop-2-enyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
SMILESC=CCOC(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H19NO3/c1-2-9-17-13(16)11-5-7-14(8-6-11)12(15)10-3-4-10/h2,10-11H,1,3-9H2
InChIKeyPZSMELDRVWQMBY-UHFFFAOYSA-N
XLogP1.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 66952596
prop-2-enyl cyclododecanecarboxylate
CID 139624721
2-methylsulfanylethyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 78832493
prop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
CID 69033800
hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 78877614
2-methylpropyl 1-[1-(2-methylpropoxycarbonyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 91737621
4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate
CID 91734422
1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
CID 91742586
cyclopropyl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6467866
prop-2-enyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 86826366
bis(prop-2-enyl) cyclohexane-1,3-dicarboxylate
CID 22715247
2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
CID 91728652

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate?
The IUPAC name of prop-2-enyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate (CID 78832432) is prop-2-enyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate.
What is the SMILES notation for prop-2-enyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate?
The canonical SMILES for prop-2-enyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate is C=CCOC(=O)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of prop-2-enyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate?
The InChIKey is PZSMELDRVWQMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-9-17-13(16)11-5-7-14(8-6-11)12(15)10-3-4-10/h2,10-11H,1,3-9H2.
What are the key properties of prop-2-enyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate?
prop-2-enyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 78832432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).