4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide

C24H29FN2O2 — CID 46977998

IUPAC4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide
SMILESO=C(NCc1cccc(N2CCCCC2)c1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C24H29FN2O2/c25-21-8-5-7-20(17-21)24(10-14-29-15-11-24)23(28)26-18-19-6-4-9-22(16-19)27-12-2-1-3-13-27/h4-9,16-17H,1-3,10-15,18H2,(H,26,28)
InChIKeyCBUXBAXCMIYVHB-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.18
Rot. Bonds5

About 4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide

4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide (PubChem CID 46977998) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide
PubChem CID46977998
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide
SMILESO=C(NCc1cccc(N2CCCCC2)c1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C24H29FN2O2/c25-21-8-5-7-20(17-21)24(10-14-29-15-11-24)23(28)26-18-19-6-4-9-22(16-19)27-12-2-1-3-13-27/h4-9,16-17H,1-3,10-15,18H2,(H,26,28)
InChIKeyCBUXBAXCMIYVHB-UHFFFAOYSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide (CID 46977998) is 4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide is O=C(NCc1cccc(N2CCCCC2)c1)C1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide?
The InChIKey is CBUXBAXCMIYVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c25-21-8-5-7-20(17-21)24(10-14-29-15-11-24)23(28)26-18-19-6-4-9-22(16-19)27-12-2-1-3-13-27/h4-9,16-17H,1-3,10-15,18H2,(H,26,28).
What are the key properties of 4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide?
4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 46977998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).