2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

C20H32N4O3S — CID 86959322

IUPAC2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCN(CCCO)C1CCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C20H32N4O3S/c1-21(7-3-14-25)17-5-8-22(9-6-17)16-19(26)23-10-12-24(13-11-23)20(27)18-4-2-15-28-18/h2,4,15,17,25H,3,5-14,16H2,1H3
InChIKeyJBVLETVEJRJNAD-UHFFFAOYSA-N
MW408.57 g/mol
LogP0.81
Rot. Bonds7

About 2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 86959322) has the molecular formula C20H32N4O3S and a molecular weight of 408.57 g/mol. Its IUPAC name is 2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID86959322
Molecular FormulaC20H32N4O3S
Molecular Weight408.57 g/mol
Exact Mass408.22
IUPAC Name2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCN(CCCO)C1CCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C20H32N4O3S/c1-21(7-3-14-25)17-5-8-22(9-6-17)16-19(26)23-10-12-24(13-11-23)20(27)18-4-2-15-28-18/h2,4,15,17,25H,3,5-14,16H2,1H3
InChIKeyJBVLETVEJRJNAD-UHFFFAOYSA-N
XLogP0.81
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 86906764
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 78894079
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8544458
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 17428471
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8710296
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 17414280
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 38125181
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 120760654

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 86959322) is 2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is CN(CCCO)C1CCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1.
What is the InChIKey of 2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is JBVLETVEJRJNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3S/c1-21(7-3-14-25)17-5-8-22(9-6-17)16-19(26)23-10-12-24(13-11-23)20(27)18-4-2-15-28-18/h2,4,15,17,25H,3,5-14,16H2,1H3.
What are the key properties of 2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 408.57 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 86959322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).