1-[2-(3-fluorophenyl)ethyl]-N-[2-(2-methylphenyl)ethyl]-6-oxopiperidine-3-carboxamide

C23H27FN2O2 — CID 24794331

IUPAC1-[2-(3-fluorophenyl)ethyl]-N-[2-(2-methylphenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccccc1CCNC(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C23H27FN2O2/c1-17-5-2-3-7-19(17)11-13-25-23(28)20-9-10-22(27)26(16-20)14-12-18-6-4-8-21(24)15-18/h2-8,15,20H,9-14,16H2,1H3,(H,25,28)
InChIKeyXKNISPBLCYMLSQ-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.27
Rot. Bonds7

About 1-[2-(3-fluorophenyl)ethyl]-N-[2-(2-methylphenyl)ethyl]-6-oxopiperidine-3-carboxamide

1-[2-(3-fluorophenyl)ethyl]-N-[2-(2-methylphenyl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24794331) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-N-[2-(2-methylphenyl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-N-[2-(2-methylphenyl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24794331
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-N-[2-(2-methylphenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccccc1CCNC(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C23H27FN2O2/c1-17-5-2-3-7-19(17)11-13-25-23(28)20-9-10-22(27)26(16-20)14-12-18-6-4-8-21(24)15-18/h2-8,15,20H,9-14,16H2,1H3,(H,25,28)
InChIKeyXKNISPBLCYMLSQ-UHFFFAOYSA-N
XLogP3.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[2-(2-methylphenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[2-(2-methylphenyl)ethyl]-6-oxopiperidine-3-carboxamide (CID 24794331) is 1-[2-(3-fluorophenyl)ethyl]-N-[2-(2-methylphenyl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-N-[2-(2-methylphenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-N-[2-(2-methylphenyl)ethyl]-6-oxopiperidine-3-carboxamide is Cc1ccccc1CCNC(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-N-[2-(2-methylphenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is XKNISPBLCYMLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-17-5-2-3-7-19(17)11-13-25-23(28)20-9-10-22(27)26(16-20)14-12-18-6-4-8-21(24)15-18/h2-8,15,20H,9-14,16H2,1H3,(H,25,28).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-N-[2-(2-methylphenyl)ethyl]-6-oxopiperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-N-[2-(2-methylphenyl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-N-[2-(2-methylphenyl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24794331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).