1-(4-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide

C22H25FN2O3 — CID 1327336

IUPAC1-(4-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H25FN2O3/c1-28-20-8-2-16(3-9-20)10-13-24-21(26)17-11-14-25(15-12-17)22(27)18-4-6-19(23)7-5-18/h2-9,17H,10-15H2,1H3,(H,24,26)
InChIKeyWIBJGAXQZCSGHT-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.05
Rot. Bonds6

About 1-(4-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 1327336) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID1327336
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name1-(4-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H25FN2O3/c1-28-20-8-2-16(3-9-20)10-13-24-21(26)17-11-14-25(15-12-17)22(27)18-4-6-19(23)7-5-18/h2-9,17H,10-15H2,1H3,(H,24,26)
InChIKeyWIBJGAXQZCSGHT-UHFFFAOYSA-N
XLogP3.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide (CID 1327336) is 1-(4-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide is COc1ccc(CCNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is WIBJGAXQZCSGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-28-20-8-2-16(3-9-20)10-13-24-21(26)17-11-14-25(15-12-17)22(27)18-4-6-19(23)7-5-18/h2-9,17H,10-15H2,1H3,(H,24,26).
What are the key properties of 1-(4-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 1327336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).