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

C27H30FN3O2 — CID 134802351

IUPAC1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-2-ylethyl)piperidine-2-carboxamide
SMILESCOc1ccc(F)cc1-c1ccc(CN2CCCCC2C(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C27H30FN3O2/c1-33-26-13-12-22(28)18-24(26)21-10-8-20(9-11-21)19-31-17-5-3-7-25(31)27(32)30-16-14-23-6-2-4-15-29-23/h2,4,6,8-13,15,18,25H,3,5,7,14,16-17,19H2,1H3,(H,30,32)
InChIKeyJBGVMYCVXRXLHJ-UHFFFAOYSA-N
MW447.55 g/mol
LogP4.61
Rot. Bonds8

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

1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-2-ylethyl)piperidine-2-carboxamide (PubChem CID 134802351) has the molecular formula C27H30FN3O2 and a molecular weight of 447.55 g/mol. Its IUPAC name is 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-2-ylethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-2-ylethyl)piperidine-2-carboxamide
PubChem CID134802351
Molecular FormulaC27H30FN3O2
Molecular Weight447.55 g/mol
Exact Mass447.23
IUPAC Name1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-2-ylethyl)piperidine-2-carboxamide
SMILESCOc1ccc(F)cc1-c1ccc(CN2CCCCC2C(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C27H30FN3O2/c1-33-26-13-12-22(28)18-24(26)21-10-8-20(9-11-21)19-31-17-5-3-7-25(31)27(32)30-16-14-23-6-2-4-15-29-23/h2,4,6,8-13,15,18,25H,3,5,7,14,16-17,19H2,1H3,(H,30,32)
InChIKeyJBGVMYCVXRXLHJ-UHFFFAOYSA-N
XLogP4.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 54.61
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-(2-pyridin-2-ylethyl)piperidine-2-carboxamide?
The IUPAC name of 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-2-ylethyl)piperidine-2-carboxamide (CID 134802351) is 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-2-ylethyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-2-ylethyl)piperidine-2-carboxamide?
The canonical SMILES for 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-2-ylethyl)piperidine-2-carboxamide is COc1ccc(F)cc1-c1ccc(CN2CCCCC2C(=O)NCCc2ccccn2)cc1.
What is the InChIKey of 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-2-ylethyl)piperidine-2-carboxamide?
The InChIKey is JBGVMYCVXRXLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O2/c1-33-26-13-12-22(28)18-24(26)21-10-8-20(9-11-21)19-31-17-5-3-7-25(31)27(32)30-16-14-23-6-2-4-15-29-23/h2,4,6,8-13,15,18,25H,3,5,7,14,16-17,19H2,1H3,(H,30,32).
What are the key properties of 1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-2-ylethyl)piperidine-2-carboxamide?
1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-2-ylethyl)piperidine-2-carboxamide has a molecular weight of 447.55 g/mol, XLogP of 4.61, 8 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-(2-pyridin-2-ylethyl)piperidine-2-carboxamide is sourced from PubChem (CID 134802351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).