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

C25H25FN2O2 — CID 45016319

IUPAC1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C25H25FN2O2/c26-22-11-5-4-8-20(22)18-28-16-14-19(15-17-28)25(29)27-23-12-6-7-13-24(23)30-21-9-2-1-3-10-21/h1-13,19H,14-18H2,(H,27,29)
InChIKeyILXCCTQJTPHOPB-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.47
Rot. Bonds6

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

1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide (PubChem CID 45016319) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
PubChem CID45016319
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C25H25FN2O2/c26-22-11-5-4-8-20(22)18-28-16-14-19(15-17-28)25(29)27-23-12-6-7-13-24(23)30-21-9-2-1-3-10-21/h1-13,19H,14-18H2,(H,27,29)
InChIKeyILXCCTQJTPHOPB-UHFFFAOYSA-N
XLogP5.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45007817
1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 31821899
N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43919730
1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
CID 42454778
N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45008142
1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 108988918
1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 2991510
1-[(2-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide
CID 45020582
1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 100683953
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 43927418
2-[(2-fluorophenyl)methylamino]-N-(2-phenoxyphenyl)acetamide
CID 108997601
N-(2-methoxyphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 37179444

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide (CID 45016319) is 1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)C1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide?
The InChIKey is ILXCCTQJTPHOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c26-22-11-5-4-8-20(22)18-28-16-14-19(15-17-28)25(29)27-23-12-6-7-13-24(23)30-21-9-2-1-3-10-21/h1-13,19H,14-18H2,(H,27,29).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide?
1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 5.47, 6 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-(2-phenoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 45016319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).