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

C21H22F2N2O2 — CID 24816630

IUPAC1-[2-(3-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C21H22F2N2O2/c22-18-5-1-3-15(11-18)9-10-25-14-17(7-8-20(25)26)21(27)24-13-16-4-2-6-19(23)12-16/h1-6,11-12,17H,7-10,13-14H2,(H,24,27)
InChIKeyGTCRANZJZGDHQG-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.06
Rot. Bonds6

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

1-[2-(3-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24816630) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24816630
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C21H22F2N2O2/c22-18-5-1-3-15(11-18)9-10-25-14-17(7-8-20(25)26)21(27)24-13-16-4-2-6-19(23)12-16/h1-6,11-12,17H,7-10,13-14H2,(H,24,27)
InChIKeyGTCRANZJZGDHQG-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.06
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-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24816630) is 1-[2-(3-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is O=C(NCc1cccc(F)c1)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is GTCRANZJZGDHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c22-18-5-1-3-15(11-18)9-10-25-14-17(7-8-20(25)26)21(27)24-13-16-4-2-6-19(23)12-16/h1-6,11-12,17H,7-10,13-14H2,(H,24,27).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 3.06, 6 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-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24816630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).