1-[(2-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide

C19H21FN2O2S — CID 24817882

IUPAC1-[(2-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)s1
InChIInChI=1S/C19H21FN2O2S/c1-13-6-8-16(25-13)10-21-19(24)15-7-9-18(23)22(12-15)11-14-4-2-3-5-17(14)20/h2-6,8,15H,7,9-12H2,1H3,(H,21,24)
InChIKeyWGGRMTHKRDAQML-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.25
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24817882) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24817882
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)s1
InChIInChI=1S/C19H21FN2O2S/c1-13-6-8-16(25-13)10-21-19(24)15-7-9-18(23)22(12-15)11-14-4-2-3-5-17(14)20/h2-6,8,15H,7,9-12H2,1H3,(H,21,24)
InChIKeyWGGRMTHKRDAQML-UHFFFAOYSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 8013080
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CID 16003512
N-(2-fluorobenzyl)-2-(2-thienyl)acetamide
CID 1246492
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 2608928
N-(1-benzylpiperidin-4-yl)-2-(thiophen-2-yl)acetamide
CID 2712605
N,N-diethyl-1-[(3-methyl-2-thienyl)methyl]-3-piperidinecarboxamide
CID 2838079
Piperidine-1,4-dicarboxylic acid 1-benzylamide 4-[(thiophen-2-ylmethyl)-amide]
CID 3222750
4-fluoro-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]benzamide
CID 3235762
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-2-fluorobenzamide
CID 3236467
2-(4-Fluorophenyl)-N-[1-(4-methylpiperazin-1-YL)-1-(thiophen-2-YL)propan-2-YL]acetamide
CID 3236509
N-(1-Benzyl-piperidin-4-yl)-2-thiophen-3-yl-acetamide
CID 10925078
N-(2-fluorobenzyl)-3-{1-[(5-methyl-2-thienyl)sulfonyl]piperidin-3-yl}propanamide
CID 16187913

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24817882) is 1-[(2-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)s1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is WGGRMTHKRDAQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-13-6-8-16(25-13)10-21-19(24)15-7-9-18(23)22(12-15)11-14-4-2-3-5-17(14)20/h2-6,8,15H,7,9-12H2,1H3,(H,21,24).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 3.25, 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-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).