prop-2-enyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate

C14H24N2O3 — CID 108559428

IUPACprop-2-enyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(NC(=O)CC(C)C)CC1
InChIInChI=1S/C14H24N2O3/c1-4-9-19-14(18)16-7-5-12(6-8-16)15-13(17)10-11(2)3/h4,11-12H,1,5-10H2,2-3H3,(H,15,17)
InChIKeyFEXZHDDGHJEHFZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.94
Rot. Bonds5

About prop-2-enyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate

prop-2-enyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate (PubChem CID 108559428) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is prop-2-enyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
PubChem CID108559428
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameprop-2-enyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(NC(=O)CC(C)C)CC1
InChIInChI=1S/C14H24N2O3/c1-4-9-19-14(18)16-7-5-12(6-8-16)15-13(17)10-11(2)3/h4,11-12H,1,5-10H2,2-3H3,(H,15,17)
InChIKeyFEXZHDDGHJEHFZ-UHFFFAOYSA-N
XLogP1.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate (CID 108559428) is prop-2-enyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate is C=CCOC(=O)N1CCC(NC(=O)CC(C)C)CC1.
What is the InChIKey of prop-2-enyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate?
The InChIKey is FEXZHDDGHJEHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-9-19-14(18)16-7-5-12(6-8-16)15-13(17)10-11(2)3/h4,11-12H,1,5-10H2,2-3H3,(H,15,17).
What are the key properties of prop-2-enyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate?
prop-2-enyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 108559428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).