N-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide

C14H18FN3O — CID 46495519

IUPACN-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide
SMILESCN1CCCCC1C(=O)N/N=C/c1ccccc1F
InChIInChI=1S/C14H18FN3O/c1-18-9-5-4-8-13(18)14(19)17-16-10-11-6-2-3-7-12(11)15/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,17,19)/b16-10+
InChIKeyWOWSOTGYWCFOGE-MHWRWJLKSA-N
MW263.32 g/mol
LogP1.76
Rot. Bonds3

About N-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide

N-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide (PubChem CID 46495519) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide
PubChem CID46495519
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide
SMILESCN1CCCCC1C(=O)N/N=C/c1ccccc1F
InChIInChI=1S/C14H18FN3O/c1-18-9-5-4-8-13(18)14(19)17-16-10-11-6-2-3-7-12(11)15/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,17,19)/b16-10+
InChIKeyWOWSOTGYWCFOGE-MHWRWJLKSA-N
XLogP1.76
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.76
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

(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide
CID 136900702
N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide
CID 110865260
(2R)-1-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]piperidine-2-carboxamide
CID 1238328
2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid
CID 26871360
N-[(Z)-(2-fluorophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126013004
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide
CID 6542599
(3S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 5400632
N-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 44724108
1-[3-(2-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
CID 71897283
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide (CID 46495519) is N-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide is CN1CCCCC1C(=O)N/N=C/c1ccccc1F.
What is the InChIKey of N-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide?
The InChIKey is WOWSOTGYWCFOGE-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-18-9-5-4-8-13(18)14(19)17-16-10-11-6-2-3-7-12(11)15/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,17,19)/b16-10+.
What are the key properties of N-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide?
N-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 46495519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).