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

C21H25FN2O2S — CID 24819293

IUPAC1-[2-(3-fluorophenyl)ethyl]-N-[2-(3-methylthiophen-2-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccsc1CCNC(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C21H25FN2O2S/c1-15-9-12-27-19(15)7-10-23-21(26)17-5-6-20(25)24(14-17)11-8-16-3-2-4-18(22)13-16/h2-4,9,12-13,17H,5-8,10-11,14H2,1H3,(H,23,26)
InChIKeyXRDCHWOTTIJQIU-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.34
Rot. Bonds7

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

1-[2-(3-fluorophenyl)ethyl]-N-[2-(3-methylthiophen-2-yl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24819293) has the molecular formula C21H25FN2O2S and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-N-[2-(3-methylthiophen-2-yl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-N-[2-(3-methylthiophen-2-yl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24819293
Molecular FormulaC21H25FN2O2S
Molecular Weight388.51 g/mol
Exact Mass388.16
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-N-[2-(3-methylthiophen-2-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccsc1CCNC(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C21H25FN2O2S/c1-15-9-12-27-19(15)7-10-23-21(26)17-5-6-20(25)24(14-17)11-8-16-3-2-4-18(22)13-16/h2-4,9,12-13,17H,5-8,10-11,14H2,1H3,(H,23,26)
InChIKeyXRDCHWOTTIJQIU-UHFFFAOYSA-N
XLogP3.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(thiophen-2-yl)acetamide
CID 808451
N-(3-phenylpropyl)-2-thiophen-2-ylacetamide
CID 2299844
N-(4-phenylbutan-2-yl)-2-(thiophen-2-yl)acetamide
CID 2914787
N-[2-(4-Methylphenyl)ethyl]-1-(thiophene-2-sulfonyl)piperidine-3-carboxamide
CID 4089362
3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 1508403
N-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 5308267
N-(1-benzylpiperidin-4-yl)-2-(thiophen-2-yl)acetamide
CID 2712605
Piperidine-1,4-dicarboxylic acid 1-benzylamide 4-[(thiophen-2-ylmethyl)-amide]
CID 3222750
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-(3,4-difluorobenzyl)-3-[1-(3-thienylcarbonyl)piperidin-3-yl]propanamide
CID 16188964
N-(2-fluorobenzyl)-3-{1-[(3-methyl-2-thienyl)carbonyl]-3-piperidinyl}propanamide
CID 16191132

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[2-(3-methylthiophen-2-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[2-(3-methylthiophen-2-yl)ethyl]-6-oxopiperidine-3-carboxamide (CID 24819293) is 1-[2-(3-fluorophenyl)ethyl]-N-[2-(3-methylthiophen-2-yl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-N-[2-(3-methylthiophen-2-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-N-[2-(3-methylthiophen-2-yl)ethyl]-6-oxopiperidine-3-carboxamide is Cc1ccsc1CCNC(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-N-[2-(3-methylthiophen-2-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is XRDCHWOTTIJQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2S/c1-15-9-12-27-19(15)7-10-23-21(26)17-5-6-20(25)24(14-17)11-8-16-3-2-4-18(22)13-16/h2-4,9,12-13,17H,5-8,10-11,14H2,1H3,(H,23,26).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-N-[2-(3-methylthiophen-2-yl)ethyl]-6-oxopiperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-N-[2-(3-methylthiophen-2-yl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-N-[2-(3-methylthiophen-2-yl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24819293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).