prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate

C14H18N2O4 — CID 108559625

IUPACprop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(NC(=O)c2ccco2)CC1
InChIInChI=1S/C14H18N2O4/c1-2-9-20-14(18)16-7-5-11(6-8-16)15-13(17)12-4-3-10-19-12/h2-4,10-11H,1,5-9H2,(H,15,17)
InChIKeyMNKYRPKCZOBMKD-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.80
Rot. Bonds4

About prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate

prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate (PubChem CID 108559625) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
PubChem CID108559625
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Nameprop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(NC(=O)c2ccco2)CC1
InChIInChI=1S/C14H18N2O4/c1-2-9-20-14(18)16-7-5-11(6-8-16)15-13(17)12-4-3-10-19-12/h2-4,10-11H,1,5-9H2,(H,15,17)
InChIKeyMNKYRPKCZOBMKD-UHFFFAOYSA-N
XLogP1.80
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
CID 110821844
prop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562791
N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 108550026
N-cyclooctylfuran-2-carboxamide
CID 790432
prop-2-enyl 2-[2-(furan-2-carbonylamino)acetyl]pyrazolidine-1-carboxylate
CID 3806765
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-2-carboxamide
CID 77002384
ethyl 4-[[N-[[4-(furan-2-carbonylamino)phenyl]methyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111327502
N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide
CID 51102722
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550086
prop-2-enyl 4-[(3-acetyloxybenzoyl)amino]piperidine-1-carboxylate
CID 108559049
ethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate
CID 100613530
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide
CID 75537873

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate (CID 108559625) is prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate is C=CCOC(=O)N1CCC(NC(=O)c2ccco2)CC1.
What is the InChIKey of prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate?
The InChIKey is MNKYRPKCZOBMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-9-20-14(18)16-7-5-11(6-8-16)15-13(17)12-4-3-10-19-12/h2-4,10-11H,1,5-9H2,(H,15,17).
What are the key properties of prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate?
prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 108559625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).