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

C20H23FN4O — CID 5192241

IUPAC1-[(2-fluorophenyl)methyl]-N-(1-pyridin-4-ylethylideneamino)piperidine-4-carboxamide
SMILESCC(=NNC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccncc1
InChIInChI=1S/C20H23FN4O/c1-15(16-6-10-22-11-7-16)23-24-20(26)17-8-12-25(13-9-17)14-18-4-2-3-5-19(18)21/h2-7,10-11,17H,8-9,12-14H2,1H3,(H,24,26)
InChIKeyOTKISLAAJPGRHL-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.97
Rot. Bonds5

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

1-[(2-fluorophenyl)methyl]-N-(1-pyridin-4-ylethylideneamino)piperidine-4-carboxamide (PubChem CID 5192241) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(1-pyridin-4-ylethylideneamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(1-pyridin-4-ylethylideneamino)piperidine-4-carboxamide
PubChem CID5192241
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(1-pyridin-4-ylethylideneamino)piperidine-4-carboxamide
SMILESCC(=NNC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccncc1
InChIInChI=1S/C20H23FN4O/c1-15(16-6-10-22-11-7-16)23-24-20(26)17-8-12-25(13-9-17)14-18-4-2-3-5-19(18)21/h2-7,10-11,17H,8-9,12-14H2,1H3,(H,24,26)
InChIKeyOTKISLAAJPGRHL-UHFFFAOYSA-N
XLogP2.97
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-fluorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylideneamino]piperidine-4-carboxamide
CID 5195766
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-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide
CID 5183601
1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 25249290
N-[(2-fluorophenyl)methyl]-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 134802499
1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 133234574
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45008142
N-[(1R,2S)-2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
CID 91912947
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide
CID 6078923
1-[(2-fluorophenyl)methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917779

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(1-pyridin-4-ylethylideneamino)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(1-pyridin-4-ylethylideneamino)piperidine-4-carboxamide (CID 5192241) is 1-[(2-fluorophenyl)methyl]-N-(1-pyridin-4-ylethylideneamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(1-pyridin-4-ylethylideneamino)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(1-pyridin-4-ylethylideneamino)piperidine-4-carboxamide is CC(=NNC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccncc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(1-pyridin-4-ylethylideneamino)piperidine-4-carboxamide?
The InChIKey is OTKISLAAJPGRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-15(16-6-10-22-11-7-16)23-24-20(26)17-8-12-25(13-9-17)14-18-4-2-3-5-19(18)21/h2-7,10-11,17H,8-9,12-14H2,1H3,(H,24,26).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(1-pyridin-4-ylethylideneamino)piperidine-4-carboxamide?
1-[(2-fluorophenyl)methyl]-N-(1-pyridin-4-ylethylideneamino)piperidine-4-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-(1-pyridin-4-ylethylideneamino)piperidine-4-carboxamide is sourced from PubChem (CID 5192241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).