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

C21H24FN3O2 — CID 24817060

IUPAC1-[(2-fluorophenyl)methyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cccc(CCNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)n1
InChIInChI=1S/C21H24FN3O2/c1-15-5-4-7-18(24-15)11-12-23-21(27)17-9-10-20(26)25(14-17)13-16-6-2-3-8-19(16)22/h2-8,17H,9-14H2,1H3,(H,23,27)
InChIKeyQLOUMFVKQPBNPL-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.63
Rot. Bonds6

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

1-[(2-fluorophenyl)methyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24817060) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24817060
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cccc(CCNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)n1
InChIInChI=1S/C21H24FN3O2/c1-15-5-4-7-18(24-15)11-12-23-21(27)17-9-10-20(26)25(14-17)13-16-6-2-3-8-19(16)22/h2-8,17H,9-14H2,1H3,(H,23,27)
InChIKeyQLOUMFVKQPBNPL-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-fluorophenyl)methyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]-6-oxopiperidine-3-carboxamide (CID 24817060) is 1-[(2-fluorophenyl)methyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]-6-oxopiperidine-3-carboxamide is Cc1cccc(CCNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)n1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is QLOUMFVKQPBNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-15-5-4-7-18(24-15)11-12-23-21(27)17-9-10-20(26)25(14-17)13-16-6-2-3-8-19(16)22/h2-8,17H,9-14H2,1H3,(H,23,27).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]-6-oxopiperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]-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-fluorophenyl)methyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).