1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide

C25H27FN2O2S — CID 134800780

IUPAC1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
SMILESCOc1ccc(F)cc1-c1ccc(CN2CCCCC2C(=O)NCc2cccs2)cc1
InChIInChI=1S/C25H27FN2O2S/c1-30-24-12-11-20(26)15-22(24)19-9-7-18(8-10-19)17-28-13-3-2-6-23(28)25(29)27-16-21-5-4-14-31-21/h4-5,7-12,14-15,23H,2-3,6,13,16-17H2,1H3,(H,27,29)
InChIKeyCWHBRHFYGVMFGR-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.23
Rot. Bonds7

About 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide

1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide (PubChem CID 134800780) has the molecular formula C25H27FN2O2S and a molecular weight of 438.57 g/mol. Its IUPAC name is 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
PubChem CID134800780
Molecular FormulaC25H27FN2O2S
Molecular Weight438.57 g/mol
Exact Mass438.18
IUPAC Name1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
SMILESCOc1ccc(F)cc1-c1ccc(CN2CCCCC2C(=O)NCc2cccs2)cc1
InChIInChI=1S/C25H27FN2O2S/c1-30-24-12-11-20(26)15-22(24)19-9-7-18(8-10-19)17-28-13-3-2-6-23(28)25(29)27-16-21-5-4-14-31-21/h4-5,7-12,14-15,23H,2-3,6,13,16-17H2,1H3,(H,27,29)
InChIKeyCWHBRHFYGVMFGR-UHFFFAOYSA-N
XLogP5.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide (CID 134800780) is 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide is COc1ccc(F)cc1-c1ccc(CN2CCCCC2C(=O)NCc2cccs2)cc1.
What is the InChIKey of 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide?
The InChIKey is CWHBRHFYGVMFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2S/c1-30-24-12-11-20(26)15-22(24)19-9-7-18(8-10-19)17-28-13-3-2-6-23(28)25(29)27-16-21-5-4-14-31-21/h4-5,7-12,14-15,23H,2-3,6,13,16-17H2,1H3,(H,27,29).
What are the key properties of 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide?
1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 134800780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).