1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide

C20H23FN2O2 — CID 43919659

IUPAC1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CCCN(Cc3ccccc3F)C2)c1
InChIInChI=1S/C20H23FN2O2/c1-25-18-9-4-8-17(12-18)22-20(24)16-7-5-11-23(14-16)13-15-6-2-3-10-19(15)21/h2-4,6,8-10,12,16H,5,7,11,13-14H2,1H3,(H,22,24)
InChIKeyXTEAHOJHGHMDOI-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.68
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 43919659) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
PubChem CID43919659
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CCCN(Cc3ccccc3F)C2)c1
InChIInChI=1S/C20H23FN2O2/c1-25-18-9-4-8-17(12-18)22-20(24)16-7-5-11-23(14-16)13-15-6-2-3-10-19(15)21/h2-4,6,8-10,12,16H,5,7,11,13-14H2,1H3,(H,22,24)
InChIKeyXTEAHOJHGHMDOI-UHFFFAOYSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43922023
1-[(2-ethoxy-3-pyridinyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 44761442
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
1-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919687
N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43919730
1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 43919580
1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide
CID 43925362
N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918466
1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 60563034
N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921605
4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151046
(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433453

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide (CID 43919659) is 1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide is COc1cccc(NC(=O)C2CCCN(Cc3ccccc3F)C2)c1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is XTEAHOJHGHMDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-25-18-9-4-8-17(12-18)22-20(24)16-7-5-11-23(14-16)13-15-6-2-3-10-19(15)21/h2-4,6,8-10,12,16H,5,7,11,13-14H2,1H3,(H,22,24).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43919659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).