1-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide

C24H24FN3O2 — CID 24791561

IUPAC1-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H24FN3O2/c25-20-5-3-18(4-6-20)17-28-14-11-19(12-15-28)24(29)27-21-7-9-22(10-8-21)30-23-2-1-13-26-16-23/h1-10,13,16,19H,11-12,14-15,17H2,(H,27,29)
InChIKeyAIPOQWXLFZRLBZ-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.86
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide

1-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 24791561) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
PubChem CID24791561
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H24FN3O2/c25-20-5-3-18(4-6-20)17-28-14-11-19(12-15-28)24(29)27-21-7-9-22(10-8-21)30-23-2-1-13-26-16-23/h1-10,13,16,19H,11-12,14-15,17H2,(H,27,29)
InChIKeyAIPOQWXLFZRLBZ-UHFFFAOYSA-N
XLogP4.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (CID 24791561) is 1-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is AIPOQWXLFZRLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-20-5-3-18(4-6-20)17-28-14-11-19(12-15-28)24(29)27-21-7-9-22(10-8-21)30-23-2-1-13-26-16-23/h1-10,13,16,19H,11-12,14-15,17H2,(H,27,29).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 24791561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).