3-[(4-methoxy-2-nitrophenyl)hydrazinylidene]piperidin-2-one

C12H14N4O4 — CID 3799264

IUPAC3-[(4-methoxy-2-nitrophenyl)hydrazinylidene]piperidin-2-one
SMILESCOc1ccc(NN=C2CCCNC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H14N4O4/c1-20-8-4-5-9(11(7-8)16(18)19)14-15-10-3-2-6-13-12(10)17/h4-5,7,14H,2-3,6H2,1H3,(H,13,17)
InChIKeyYWEVBAJRADFXME-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.28
Rot. Bonds4

About 3-[(4-methoxy-2-nitrophenyl)hydrazinylidene]piperidin-2-one

3-[(4-methoxy-2-nitrophenyl)hydrazinylidene]piperidin-2-one (PubChem CID 3799264) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-[(4-methoxy-2-nitrophenyl)hydrazinylidene]piperidin-2-one.

Molecular Properties

Compound Name3-[(4-methoxy-2-nitrophenyl)hydrazinylidene]piperidin-2-one
PubChem CID3799264
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name3-[(4-methoxy-2-nitrophenyl)hydrazinylidene]piperidin-2-one
SMILESCOc1ccc(NN=C2CCCNC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H14N4O4/c1-20-8-4-5-9(11(7-8)16(18)19)14-15-10-3-2-6-13-12(10)17/h4-5,7,14H,2-3,6H2,1H3,(H,13,17)
InChIKeyYWEVBAJRADFXME-UHFFFAOYSA-N
XLogP1.28
TPSA105.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-nitroaniline
CID 9059234
N-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienylidene)amino]-2,4-dinitroaniline
CID 2752978
4-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 3885583
4-methoxy-N-(3-methylbutan-2-yl)-2-nitroaniline
CID 43084346
4-(2-cyclohexylidenehydrazinyl)-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 4627079
N-(1H-imidazol-2-ylmethyl)-4-methoxy-2-nitroaniline
CID 54976268
4-methoxy-2-nitro-1-(sulfonylamino)benzene
CID 174785505
4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide
CID 2843218
N-[[7-[(2,4-dinitrophenyl)hydrazinylidene]-6-bicyclo[10.2.2]hexadeca-1(14),12,15-trienylidene]amino]-2,4-dinitroaniline
CID 6834381
N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-nitroaniline
CID 43717849
N-[(1-aminocyclobutyl)methyl]-4-methoxy-2-nitroaniline
CID 103353990
N-(4-methoxy-2-nitrophenyl)pyridin-4-amine
CID 121011704

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-2-nitrophenyl)hydrazinylidene]piperidin-2-one?
The IUPAC name of 3-[(4-methoxy-2-nitrophenyl)hydrazinylidene]piperidin-2-one (CID 3799264) is 3-[(4-methoxy-2-nitrophenyl)hydrazinylidene]piperidin-2-one.
What is the SMILES notation for 3-[(4-methoxy-2-nitrophenyl)hydrazinylidene]piperidin-2-one?
The canonical SMILES for 3-[(4-methoxy-2-nitrophenyl)hydrazinylidene]piperidin-2-one is COc1ccc(NN=C2CCCNC2=O)c([N+](=O)[O-])c1.
What is the InChIKey of 3-[(4-methoxy-2-nitrophenyl)hydrazinylidene]piperidin-2-one?
The InChIKey is YWEVBAJRADFXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-20-8-4-5-9(11(7-8)16(18)19)14-15-10-3-2-6-13-12(10)17/h4-5,7,14H,2-3,6H2,1H3,(H,13,17).
What are the key properties of 3-[(4-methoxy-2-nitrophenyl)hydrazinylidene]piperidin-2-one?
3-[(4-methoxy-2-nitrophenyl)hydrazinylidene]piperidin-2-one has a molecular weight of 278.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-2-nitrophenyl)hydrazinylidene]piperidin-2-one is sourced from PubChem (CID 3799264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).