4-(4-fluorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide

C20H21FN2O3 — CID 1438062

IUPAC4-(4-fluorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H21FN2O3/c1-26-18-8-6-17(7-9-18)22-20(25)23-12-10-15(11-13-23)19(24)14-2-4-16(21)5-3-14/h2-9,15H,10-13H2,1H3,(H,22,25)
InChIKeyGQLSSUCDANVWMP-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.96
Rot. Bonds4

About 4-(4-fluorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide

4-(4-fluorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 1438062) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-(4-fluorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
PubChem CID1438062
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name4-(4-fluorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H21FN2O3/c1-26-18-8-6-17(7-9-18)22-20(25)23-12-10-15(11-13-23)19(24)14-2-4-16(21)5-3-14/h2-9,15H,10-13H2,1H3,(H,22,25)
InChIKeyGQLSSUCDANVWMP-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-fluorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide (CID 1438062) is 4-(4-fluorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-fluorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-(4-fluorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is GQLSSUCDANVWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-26-18-8-6-17(7-9-18)22-20(25)23-12-10-15(11-13-23)19(24)14-2-4-16(21)5-3-14/h2-9,15H,10-13H2,1H3,(H,22,25).
What are the key properties of 4-(4-fluorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
4-(4-fluorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 1438062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).