1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide

C21H24FN3O2 — CID 24817572

IUPAC1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cnccc1CN(C)C(=O)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C21H24FN3O2/c1-15-11-23-10-9-16(15)12-24(2)21(27)18-7-8-20(26)25(14-18)13-17-5-3-4-6-19(17)22/h3-6,9-11,18H,7-8,12-14H2,1-2H3
InChIKeyLOZWPTINEYIAIO-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.93
Rot. Bonds5

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

1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24817572) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24817572
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cnccc1CN(C)C(=O)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C21H24FN3O2/c1-15-11-23-10-9-16(15)12-24(2)21(27)18-7-8-20(26)25(14-18)13-17-5-3-4-6-19(17)22/h3-6,9-11,18H,7-8,12-14H2,1-2H3
InChIKeyLOZWPTINEYIAIO-UHFFFAOYSA-N
XLogP2.93
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24817572) is 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide is Cc1cnccc1CN(C)C(=O)C1CCC(=O)N(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is LOZWPTINEYIAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-15-11-23-10-9-16(15)12-24(2)21(27)18-7-8-20(26)25(14-18)13-17-5-3-4-6-19(17)22/h3-6,9-11,18H,7-8,12-14H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).