1-[(2-fluorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylideneamino]piperidine-4-carboxamide

C21H23FN4O3 — CID 5195766

IUPAC1-[(2-fluorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylideneamino]piperidine-4-carboxamide
SMILESCC(=NNC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H23FN4O3/c1-15(16-6-8-19(9-7-16)26(28)29)23-24-21(27)17-10-12-25(13-11-17)14-18-4-2-3-5-20(18)22/h2-9,17H,10-14H2,1H3,(H,24,27)
InChIKeyWQPDVJVCYMQRHV-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.49
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylideneamino]piperidine-4-carboxamide

1-[(2-fluorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylideneamino]piperidine-4-carboxamide (PubChem CID 5195766) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylideneamino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylideneamino]piperidine-4-carboxamide
PubChem CID5195766
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylideneamino]piperidine-4-carboxamide
SMILESCC(=NNC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H23FN4O3/c1-15(16-6-8-19(9-7-16)26(28)29)23-24-21(27)17-10-12-25(13-11-17)14-18-4-2-3-5-20(18)22/h2-9,17H,10-14H2,1H3,(H,24,27)
InChIKeyWQPDVJVCYMQRHV-UHFFFAOYSA-N
XLogP3.49
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze 1-[(2-fluorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylideneamino]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-fluorophenyl)methyl]-N-(1-pyridin-4-ylethylideneamino)piperidine-4-carboxamide
CID 5192241
1-[(2-chlorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide
CID 5179015
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone;oxalic acid
CID 146048643
1-[(2-chloro-4-fluorophenyl)methyl]-N-[1-(4-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide
CID 5183602
1-[(2-chloro-4-fluorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide
CID 5183601
4-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142408
1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 25249290
N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45008142
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide
CID 55753843
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide
CID 6078923
1-(furan-2-ylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 17232967
1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 9134208

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylideneamino]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylideneamino]piperidine-4-carboxamide (CID 5195766) is 1-[(2-fluorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylideneamino]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylideneamino]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylideneamino]piperidine-4-carboxamide is CC(=NNC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylideneamino]piperidine-4-carboxamide?
The InChIKey is WQPDVJVCYMQRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-15(16-6-8-19(9-7-16)26(28)29)23-24-21(27)17-10-12-25(13-11-17)14-18-4-2-3-5-20(18)22/h2-9,17H,10-14H2,1H3,(H,24,27).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylideneamino]piperidine-4-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylideneamino]piperidine-4-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylideneamino]piperidine-4-carboxamide is sourced from PubChem (CID 5195766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).