N-(4-fluorophenyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide

C26H27FN2O2 — CID 134803474

IUPACN-(4-fluorophenyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1-c1cccc(CN2CCCC(C(=O)Nc3ccc(F)cc3)C2)c1
InChIInChI=1S/C26H27FN2O2/c1-31-25-10-3-2-9-24(25)20-7-4-6-19(16-20)17-29-15-5-8-21(18-29)26(30)28-23-13-11-22(27)12-14-23/h2-4,6-7,9-14,16,21H,5,8,15,17-18H2,1H3,(H,28,30)
InChIKeyNVYDAEKHCWXDKB-UHFFFAOYSA-N
MW418.51 g/mol
LogP5.35
Rot. Bonds6

About N-(4-fluorophenyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide

N-(4-fluorophenyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 134803474) has the molecular formula C26H27FN2O2 and a molecular weight of 418.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID134803474
Molecular FormulaC26H27FN2O2
Molecular Weight418.51 g/mol
Exact Mass418.21
IUPAC NameN-(4-fluorophenyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1-c1cccc(CN2CCCC(C(=O)Nc3ccc(F)cc3)C2)c1
InChIInChI=1S/C26H27FN2O2/c1-31-25-10-3-2-9-24(25)20-7-4-6-19(16-20)17-29-15-5-8-21(18-29)26(30)28-23-13-11-22(27)12-14-23/h2-4,6-7,9-14,16,21H,5,8,15,17-18H2,1H3,(H,28,30)
InChIKeyNVYDAEKHCWXDKB-UHFFFAOYSA-N
XLogP5.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.51
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide (CID 134803474) is N-(4-fluorophenyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide is COc1ccccc1-c1cccc(CN2CCCC(C(=O)Nc3ccc(F)cc3)C2)c1.
What is the InChIKey of N-(4-fluorophenyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is NVYDAEKHCWXDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O2/c1-31-25-10-3-2-9-24(25)20-7-4-6-19(16-20)17-29-15-5-8-21(18-29)26(30)28-23-13-11-22(27)12-14-23/h2-4,6-7,9-14,16,21H,5,8,15,17-18H2,1H3,(H,28,30).
What are the key properties of N-(4-fluorophenyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide?
N-(4-fluorophenyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 418.51 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 134803474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).