N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide

C20H20N2O5 — CID 5448139

IUPACN-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(N/C(=C/c1ccc2c(c1)OCO2)C(=O)N1CCCCC1)c1ccco1
InChIInChI=1S/C20H20N2O5/c23-19(17-5-4-10-25-17)21-15(20(24)22-8-2-1-3-9-22)11-14-6-7-16-18(12-14)27-13-26-16/h4-7,10-12H,1-3,8-9,13H2,(H,21,23)/b15-11+
InChIKeyNNRPDDHQDVZHGH-RVDMUPIBSA-N
MW368.39 g/mol
LogP2.79
Rot. Bonds4

About N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide

N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 5448139) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
PubChem CID5448139
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(N/C(=C/c1ccc2c(c1)OCO2)C(=O)N1CCCCC1)c1ccco1
InChIInChI=1S/C20H20N2O5/c23-19(17-5-4-10-25-17)21-15(20(24)22-8-2-1-3-9-22)11-14-6-7-16-18(12-14)27-13-26-16/h4-7,10-12H,1-3,8-9,13H2,(H,21,23)/b15-11+
InChIKeyNNRPDDHQDVZHGH-RVDMUPIBSA-N
XLogP2.79
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3-amino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5405356
N-[(E)-3-(azepan-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 1096231
N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
CID 24789734
N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
CID 892483
(E)-N-[(Z)-3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 45069140
N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 40509837
N-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide
CID 2908322
6-[[3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]hexanoic acid
CID 3137752
2-[[3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]-3-phenylpropanoic acid
CID 3137753
6-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]hexanoate
CID 7438797
N-[1-(1,3-benzodioxol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 1308779
N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 2839706

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide (CID 5448139) is N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide is O=C(N/C(=C/c1ccc2c(c1)OCO2)C(=O)N1CCCCC1)c1ccco1.
What is the InChIKey of N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is NNRPDDHQDVZHGH-RVDMUPIBSA-N. The full InChI is InChI=1S/C20H20N2O5/c23-19(17-5-4-10-25-17)21-15(20(24)22-8-2-1-3-9-22)11-14-6-7-16-18(12-14)27-13-26-16/h4-7,10-12H,1-3,8-9,13H2,(H,21,23)/b15-11+.
What are the key properties of N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide?
N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 5448139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).