N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide

C19H19N3O5 — CID 24789734

IUPACN-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(N/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC1)c1ccco1
InChIInChI=1S/C19H19N3O5/c23-18(17-5-4-12-27-17)20-16(19(24)21-10-2-1-3-11-21)13-14-6-8-15(9-7-14)22(25)26/h4-9,12-13H,1-3,10-11H2,(H,20,23)/b16-13-
InChIKeyMWGHFWSOUHCKHD-SSZFMOIBSA-N
MW369.38 g/mol
LogP2.97
Rot. Bonds5

About N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide

N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 24789734) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
PubChem CID24789734
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(N/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC1)c1ccco1
InChIInChI=1S/C19H19N3O5/c23-18(17-5-4-12-27-17)20-16(19(24)21-10-2-1-3-11-21)13-14-6-8-15(9-7-14)22(25)26/h4-9,12-13H,1-3,10-11H2,(H,20,23)/b16-13-
InChIKeyMWGHFWSOUHCKHD-SSZFMOIBSA-N
XLogP2.97
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 1163109
N-[1-(4-chlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-4-nitrobenzamide
CID 3104315
N-[(E)-1-(4-bromophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-4-nitrobenzamide
CID 1100517
N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
CID 892483
N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
CID 5448139
N-[(E)-3-(azepan-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 1096231
2-[[2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]acetate
CID 7007049
N-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide
CID 2908322
N-[3-(2-morpholin-4-ylethylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5172232
N-[(E)-3-(4-methylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5442613
N-[(Z)-1-(2-chlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-4-nitrobenzamide
CID 5440631
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-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide (CID 24789734) is N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide is O=C(N/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC1)c1ccco1.
What is the InChIKey of N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is MWGHFWSOUHCKHD-SSZFMOIBSA-N. The full InChI is InChI=1S/C19H19N3O5/c23-18(17-5-4-12-27-17)20-16(19(24)21-10-2-1-3-11-21)13-14-6-8-15(9-7-14)22(25)26/h4-9,12-13H,1-3,10-11H2,(H,20,23)/b16-13-.
What are the key properties of N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide?
N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 24789734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).