1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide

C22H31FN2O3 — CID 24817203

IUPAC1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCN(CCC1CCOCC1)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C22H31FN2O3/c1-24(11-7-17-9-13-28-14-10-17)22(27)19-5-6-21(26)25(16-19)12-8-18-3-2-4-20(23)15-18/h2-4,15,17,19H,5-14,16H2,1H3
InChIKeyNBBVCMFHLIOEIU-UHFFFAOYSA-N
MW390.50 g/mol
LogP2.88
Rot. Bonds7

About 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide

1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24817203) has the molecular formula C22H31FN2O3 and a molecular weight of 390.50 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24817203
Molecular FormulaC22H31FN2O3
Molecular Weight390.50 g/mol
Exact Mass390.23
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCN(CCC1CCOCC1)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C22H31FN2O3/c1-24(11-7-17-9-13-28-14-10-17)22(27)19-5-6-21(26)25(16-19)12-8-18-3-2-4-20(23)15-18/h2-4,15,17,19H,5-14,16H2,1H3
InChIKeyNBBVCMFHLIOEIU-UHFFFAOYSA-N
XLogP2.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide (CID 24817203) is 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide is CN(CCC1CCOCC1)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is NBBVCMFHLIOEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O3/c1-24(11-7-17-9-13-28-14-10-17)22(27)19-5-6-21(26)25(16-19)12-8-18-3-2-4-20(23)15-18/h2-4,15,17,19H,5-14,16H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 390.50 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).