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

C26H28FN3O2 — CID 134803536

IUPAC1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide
SMILESCOc1ccc(F)cc1-c1ccc(CN2CCCCC2C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C26H28FN3O2/c1-32-25-13-12-21(27)16-23(25)20-10-8-19(9-11-20)18-30-15-5-3-7-24(30)26(31)29-17-22-6-2-4-14-28-22/h2,4,6,8-14,16,24H,3,5,7,15,17-18H2,1H3,(H,29,31)
InChIKeyCHRPTTZBRJXHCR-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.57
Rot. Bonds7

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

1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide (PubChem CID 134803536) has the molecular formula C26H28FN3O2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide
PubChem CID134803536
Molecular FormulaC26H28FN3O2
Molecular Weight433.53 g/mol
Exact Mass433.22
IUPAC Name1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide
SMILESCOc1ccc(F)cc1-c1ccc(CN2CCCCC2C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C26H28FN3O2/c1-32-25-13-12-21(27)16-23(25)20-10-8-19(9-11-20)18-30-15-5-3-7-24(30)26(31)29-17-22-6-2-4-14-28-22/h2,4,6,8-14,16,24H,3,5,7,15,17-18H2,1H3,(H,29,31)
InChIKeyCHRPTTZBRJXHCR-UHFFFAOYSA-N
XLogP4.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.57
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-(pyridin-2-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide (CID 134803536) is 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide is COc1ccc(F)cc1-c1ccc(CN2CCCCC2C(=O)NCc2ccccn2)cc1.
What is the InChIKey of 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide?
The InChIKey is CHRPTTZBRJXHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O2/c1-32-25-13-12-21(27)16-23(25)20-10-8-19(9-11-20)18-30-15-5-3-7-24(30)26(31)29-17-22-6-2-4-14-28-22/h2,4,6,8-14,16,24H,3,5,7,15,17-18H2,1H3,(H,29,31).
What are the key properties of 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide?
1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 4.57, 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-(pyridin-2-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 134803536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).