2-(4-nitrophenyl)-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide

C18H20N4O4 — CID 6138888

IUPAC2-(4-nitrophenyl)-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C\c1ccc(N2CCCCC2)o1
InChIInChI=1S/C18H20N4O4/c23-17(12-14-4-6-15(7-5-14)22(24)25)20-19-13-16-8-9-18(26-16)21-10-2-1-3-11-21/h4-9,13H,1-3,10-12H2,(H,20,23)/b19-13-
InChIKeyQVWMFPDNJWSDFB-UYRXBGFRSA-N
MW356.38 g/mol
LogP2.87
Rot. Bonds6

About 2-(4-nitrophenyl)-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide

2-(4-nitrophenyl)-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide (PubChem CID 6138888) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide
PubChem CID6138888
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-(4-nitrophenyl)-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C\c1ccc(N2CCCCC2)o1
InChIInChI=1S/C18H20N4O4/c23-17(12-14-4-6-15(7-5-14)22(24)25)20-19-13-16-8-9-18(26-16)21-10-2-1-3-11-21/h4-9,13H,1-3,10-12H2,(H,20,23)/b19-13-
InChIKeyQVWMFPDNJWSDFB-UYRXBGFRSA-N
XLogP2.87
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_A(15)', 'substructure': 'N/A'}, {'alert_name': 'imine_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

2-(4-nitrophenyl)-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide
CID 4519777
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5333773
2-(4-methoxyphenyl)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6897039
N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide
CID 126013378
N-[(E)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 21370500
N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 6882170
2-(1,3-benzodioxol-5-yl)-N-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 1275206
N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126364062
ethyl 3-[5-[(Z)-[[2-(4-nitrophenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 94846269
2-(1,3-benzodioxol-5-yl)-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126090958
2-benzylsulfanyl-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 3948367
2-(2,4-dimethylphenyl)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 92657666

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide (CID 6138888) is 2-(4-nitrophenyl)-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C\c1ccc(N2CCCCC2)o1.
What is the InChIKey of 2-(4-nitrophenyl)-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide?
The InChIKey is QVWMFPDNJWSDFB-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H20N4O4/c23-17(12-14-4-6-15(7-5-14)22(24)25)20-19-13-16-8-9-18(26-16)21-10-2-1-3-11-21/h4-9,13H,1-3,10-12H2,(H,20,23)/b19-13-.
What are the key properties of 2-(4-nitrophenyl)-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide?
2-(4-nitrophenyl)-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide has a molecular weight of 356.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 6138888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).