1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide

C20H23FN2O2S — CID 24817525

IUPAC1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1cccs1)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C20H23FN2O2S/c21-17-4-1-3-15(13-17)9-11-23-14-16(6-7-19(23)24)20(25)22-10-8-18-5-2-12-26-18/h1-5,12-13,16H,6-11,14H2,(H,22,25)
InChIKeyDFHCTROSBTYOHP-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.03
Rot. Bonds7

About 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide

1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide (PubChem CID 24817525) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
PubChem CID24817525
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1cccs1)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C20H23FN2O2S/c21-17-4-1-3-15(13-17)9-11-23-14-16(6-7-19(23)24)20(25)22-10-8-18-5-2-12-26-18/h1-5,12-13,16H,6-11,14H2,(H,22,25)
InChIKeyDFHCTROSBTYOHP-UHFFFAOYSA-N
XLogP3.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.03
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-[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
(5E)-1-[2-(4-fluorophenyl)ethyl]-5-(thiophen-2-ylmethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 5415620
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]-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide (CID 24817525) is 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide is O=C(NCCc1cccs1)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is DFHCTROSBTYOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c21-17-4-1-3-15(13-17)9-11-23-14-16(6-7-19(23)24)20(25)22-10-8-18-5-2-12-26-18/h1-5,12-13,16H,6-11,14H2,(H,22,25).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 3.03, 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]-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24817525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).