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

C20H22FN3O2 — CID 24794330

IUPAC1-[(2-fluorophenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)n1
InChIInChI=1S/C20H22FN3O2/c1-14-5-4-7-17(23-14)11-22-20(26)16-9-10-19(25)24(13-16)12-15-6-2-3-8-18(15)21/h2-8,16H,9-13H2,1H3,(H,22,26)
InChIKeyWOXJSOADXKXCCS-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.58
Rot. Bonds5

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

1-[(2-fluorophenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24794330) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24794330
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)n1
InChIInChI=1S/C20H22FN3O2/c1-14-5-4-7-17(23-14)11-22-20(26)16-9-10-19(25)24(13-16)12-15-6-2-3-8-18(15)21/h2-8,16H,9-13H2,1H3,(H,22,26)
InChIKeyWOXJSOADXKXCCS-UHFFFAOYSA-N
XLogP2.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.58
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-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24794330) is 1-[(2-fluorophenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide is Cc1cccc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)n1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is WOXJSOADXKXCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-14-5-4-7-17(23-14)11-22-20(26)16-9-10-19(25)24(13-16)12-15-6-2-3-8-18(15)21/h2-8,16H,9-13H2,1H3,(H,22,26).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 2.58, 5 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-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24794330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).