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

C19H20FN3O2 — CID 71689537

IUPAC2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCC(=O)N(C)C2c2cccc(F)c2)n1
InChIInChI=1S/C19H20FN3O2/c1-12-5-3-8-16(21-12)22-19(25)15-9-10-17(24)23(2)18(15)13-6-4-7-14(20)11-13/h3-8,11,15,18H,9-10H2,1-2H3,(H,21,22,25)
InChIKeyKHWDKSBMRNUNCT-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.08
Rot. Bonds3

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

2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide (PubChem CID 71689537) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
PubChem CID71689537
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCC(=O)N(C)C2c2cccc(F)c2)n1
InChIInChI=1S/C19H20FN3O2/c1-12-5-3-8-16(21-12)22-19(25)15-9-10-17(24)23(2)18(15)13-6-4-7-14(20)11-13/h3-8,11,15,18H,9-10H2,1-2H3,(H,21,22,25)
InChIKeyKHWDKSBMRNUNCT-UHFFFAOYSA-N
XLogP3.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide (CID 71689537) is 2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCC(=O)N(C)C2c2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is KHWDKSBMRNUNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-12-5-3-8-16(21-12)22-19(25)15-9-10-17(24)23(2)18(15)13-6-4-7-14(20)11-13/h3-8,11,15,18H,9-10H2,1-2H3,(H,21,22,25).
What are the key properties of 2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide?
2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 71689537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).