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

C21H24FN3O2 — CID 24792959

IUPAC1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cccnc1CNC(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C21H24FN3O2/c1-15-4-3-10-23-19(15)13-24-21(27)17-7-8-20(26)25(14-17)11-9-16-5-2-6-18(22)12-16/h2-6,10,12,17H,7-9,11,13-14H2,1H3,(H,24,27)
InChIKeyLBFMYFLKBMPGPR-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.63
Rot. Bonds6

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

1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24792959) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24792959
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cccnc1CNC(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C21H24FN3O2/c1-15-4-3-10-23-19(15)13-24-21(27)17-7-8-20(26)25(14-17)11-9-16-5-2-6-18(22)12-16/h2-6,10,12,17H,7-9,11,13-14H2,1H3,(H,24,27)
InChIKeyLBFMYFLKBMPGPR-UHFFFAOYSA-N
XLogP2.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24792959) is 1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide is Cc1cccnc1CNC(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is LBFMYFLKBMPGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-15-4-3-10-23-19(15)13-24-21(27)17-7-8-20(26)25(14-17)11-9-16-5-2-6-18(22)12-16/h2-6,10,12,17H,7-9,11,13-14H2,1H3,(H,24,27).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24792959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).