1-[(2-chloro-4-fluorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide

C25H25ClFN3O — CID 5183601

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide
SMILESCC(=NNC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C25H25ClFN3O/c1-17(20-7-6-18-4-2-3-5-21(18)14-20)28-29-25(31)19-10-12-30(13-11-19)16-22-8-9-23(27)15-24(22)26/h2-9,14-15,19H,10-13,16H2,1H3,(H,29,31)
InChIKeyWNORWJDVAVAFTB-UHFFFAOYSA-N
MW437.95 g/mol
LogP5.38
Rot. Bonds5

About 1-[(2-chloro-4-fluorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide

1-[(2-chloro-4-fluorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide (PubChem CID 5183601) has the molecular formula C25H25ClFN3O and a molecular weight of 437.95 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide
PubChem CID5183601
Molecular FormulaC25H25ClFN3O
Molecular Weight437.95 g/mol
Exact Mass437.17
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide
SMILESCC(=NNC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C25H25ClFN3O/c1-17(20-7-6-18-4-2-3-5-21(18)14-20)28-29-25(31)19-10-12-30(13-11-19)16-22-8-9-23(27)15-24(22)26/h2-9,14-15,19H,10-13,16H2,1H3,(H,29,31)
InChIKeyWNORWJDVAVAFTB-UHFFFAOYSA-N
XLogP5.38
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide
CID 5179015
1-[(2-chloro-4-fluorophenyl)methyl]-N-[1-(4-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide
CID 5183602
1-[(2-chloro-4-fluorophenyl)methyl]-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]piperidine-4-carboxamide
CID 21173316
N-(1-naphthalen-2-ylethylideneamino)cyclohexanecarboxamide
CID 832851
1-[(2-fluorophenyl)methyl]-N-(1-pyridin-4-ylethylideneamino)piperidine-4-carboxamide
CID 5192241
1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919622
1-[(2-fluorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylideneamino]piperidine-4-carboxamide
CID 5195766
1-[(2-chlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 45016892
N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 33103568
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide
CID 6078923
(1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 5409657
1-[(2-chloro-4-fluorophenyl)methyl]-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide
CID 5454653

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide (CID 5183601) is 1-[(2-chloro-4-fluorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide is CC(=NNC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1)c1ccc2ccccc2c1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide?
The InChIKey is WNORWJDVAVAFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN3O/c1-17(20-7-6-18-4-2-3-5-21(18)14-20)28-29-25(31)19-10-12-30(13-11-19)16-22-8-9-23(27)15-24(22)26/h2-9,14-15,19H,10-13,16H2,1H3,(H,29,31).
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide?
1-[(2-chloro-4-fluorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide has a molecular weight of 437.95 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide is sourced from PubChem (CID 5183601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).