1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone

C19H31N3OS — CID 95761889

IUPAC1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
SMILESC[C@H]1C[C@H](C)CN(C(=O)CN2CCN(CCc3cccs3)CC2)C1
InChIInChI=1S/C19H31N3OS/c1-16-12-17(2)14-22(13-16)19(23)15-21-9-7-20(8-10-21)6-5-18-4-3-11-24-18/h3-4,11,16-17H,5-10,12-15H2,1-2H3/t16-,17-/m0/s1
InChIKeyABUJGQLZSZITBT-IRXDYDNUSA-N
MW349.54 g/mol
LogP2.41
Rot. Bonds5

About 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone

1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone (PubChem CID 95761889) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
PubChem CID95761889
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC Name1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
SMILESC[C@H]1C[C@H](C)CN(C(=O)CN2CCN(CCc3cccs3)CC2)C1
InChIInChI=1S/C19H31N3OS/c1-16-12-17(2)14-22(13-16)19(23)15-21-9-7-20(8-10-21)6-5-18-4-3-11-24-18/h3-4,11,16-17H,5-10,12-15H2,1-2H3/t16-,17-/m0/s1
InChIKeyABUJGQLZSZITBT-IRXDYDNUSA-N
XLogP2.41
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetyl]imidazolidin-2-one
CID 47073365
1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]ethanone
CID 60505162
1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110665574
4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 86912732
N-(cyclohexylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47073373
1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one
CID 136578933
1-(azepan-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 78808495
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27068240
N-(2,6-dichlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30738788
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 124776383
4-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]morpholine
CID 60575640
1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone
CID 55461742

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone (CID 95761889) is 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone is C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(CCc3cccs3)CC2)C1.
What is the InChIKey of 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is ABUJGQLZSZITBT-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-16-12-17(2)14-22(13-16)19(23)15-21-9-7-20(8-10-21)6-5-18-4-3-11-24-18/h3-4,11,16-17H,5-10,12-15H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone?
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 349.54 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 95761889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).