tert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate

C17H24N2O4 — CID 76868546

IUPACtert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)C=Cc2ccco2)CC1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-10-8-13(9-11-19)18-15(20)7-6-14-5-4-12-22-14/h4-7,12-13H,8-11H2,1-3H3,(H,18,20)
InChIKeyGDDDZACQMNTSCS-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.81
Rot. Bonds3

About tert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate

tert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate (PubChem CID 76868546) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is tert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate
PubChem CID76868546
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nametert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)C=Cc2ccco2)CC1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-10-8-13(9-11-19)18-15(20)7-6-14-5-4-12-22-14/h4-7,12-13H,8-11H2,1-3H3,(H,18,20)
InChIKeyGDDDZACQMNTSCS-UHFFFAOYSA-N
XLogP2.81
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[3-(4-methylphenyl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868527
tert-butyl 4-[3-(4-fluorophenyl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868532
N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide
CID 77114393
tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride
CID 75365791
(E)-3-(furan-2-yl)-1-[3-(methylamino)pyrrolidin-1-yl]prop-2-en-1-one
CID 81469240
3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 3824750
furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium
CID 6989299
ethyl 4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 31542271
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
CID 4876281
tert-butyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
CID 2543493
tert-butyl 4-[[2-(methylamino)benzoyl]amino]piperidine-1-carboxylate
CID 126805389

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate (CID 76868546) is tert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)C=Cc2ccco2)CC1.
What is the InChIKey of tert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate?
The InChIKey is GDDDZACQMNTSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-10-8-13(9-11-19)18-15(20)7-6-14-5-4-12-22-14/h4-7,12-13H,8-11H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate?
tert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 76868546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).