1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]ethanone

C22H27FN2OS — CID 18364908

IUPAC1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC(CN2CCC(c3ccc(F)cc3)CC2)C(c2ccsc2)C1
InChIInChI=1S/C22H27FN2OS/c1-16(26)25-13-20(22(14-25)19-8-11-27-15-19)12-24-9-6-18(7-10-24)17-2-4-21(23)5-3-17/h2-5,8,11,15,18,20,22H,6-7,9-10,12-14H2,1H3
InChIKeyOHZMJYLRRLJJTM-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.33
Rot. Bonds4

About 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]ethanone

1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]ethanone (PubChem CID 18364908) has the molecular formula C22H27FN2OS and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]ethanone
PubChem CID18364908
Molecular FormulaC22H27FN2OS
Molecular Weight386.54 g/mol
Exact Mass386.18
IUPAC Name1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC(CN2CCC(c3ccc(F)cc3)CC2)C(c2ccsc2)C1
InChIInChI=1S/C22H27FN2OS/c1-16(26)25-13-20(22(14-25)19-8-11-27-15-19)12-24-9-6-18(7-10-24)17-2-4-21(23)5-3-17/h2-5,8,11,15,18,20,22H,6-7,9-10,12-14H2,1H3
InChIKeyOHZMJYLRRLJJTM-UHFFFAOYSA-N
XLogP4.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-N-[2-(3-methyl-2-thienyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24819293
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CID 52937863
1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817119
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 24817525
(4R,5R)-5-(Fluoro-thiophen-2-yl-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44398130
1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 44448393
1-Pyrrolidin-1-yl-3-(4-thiophen-3-ylphenyl)propan-1-one
CID 155513706
4-Thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
CID 89525771
1-(4-Benzylpiperidin-1-yl)-2-(thiophen-2-yl)ethanone
CID 669874
Cambridge id 6578772
CID 2187048
2-(2,6-Difluorophenyl)-3-[(5-methyl-2-thienyl)methyl]thiazolidin-4-one
CID 25058769
1-(4-(2-(4-Fluorophenyl)cyclopropanecarbonyl)piperazin-1-yl)-2-(thiophen-2-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]ethanone (CID 18364908) is 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]ethanone is CC(=O)N1CC(CN2CCC(c3ccc(F)cc3)CC2)C(c2ccsc2)C1.
What is the InChIKey of 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]ethanone?
The InChIKey is OHZMJYLRRLJJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2OS/c1-16(26)25-13-20(22(14-25)19-8-11-27-15-19)12-24-9-6-18(7-10-24)17-2-4-21(23)5-3-17/h2-5,8,11,15,18,20,22H,6-7,9-10,12-14H2,1H3.
What are the key properties of 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]ethanone?
1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]ethanone has a molecular weight of 386.54 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 18364908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).