1-(4-hydroxypiperidin-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone

C17H27N3O2S — CID 83979467

IUPAC1-(4-hydroxypiperidin-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
SMILESCc1ccsc1C(C(=O)N1CCC(O)CC1)N1CCNC(C)C1
InChIInChI=1S/C17H27N3O2S/c1-12-5-10-23-16(12)15(20-9-6-18-13(2)11-20)17(22)19-7-3-14(21)4-8-19/h5,10,13-15,18,21H,3-4,6-9,11H2,1-2H3
InChIKeyKSGXRBGUOQXVSQ-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.37
Rot. Bonds3

About 1-(4-hydroxypiperidin-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone

1-(4-hydroxypiperidin-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone (PubChem CID 83979467) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
PubChem CID83979467
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name1-(4-hydroxypiperidin-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
SMILESCc1ccsc1C(C(=O)N1CCC(O)CC1)N1CCNC(C)C1
InChIInChI=1S/C17H27N3O2S/c1-12-5-10-23-16(12)15(20-9-6-18-13(2)11-20)17(22)19-7-3-14(21)4-8-19/h5,10,13-15,18,21H,3-4,6-9,11H2,1-2H3
InChIKeyKSGXRBGUOQXVSQ-UHFFFAOYSA-N
XLogP1.37
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-hydroxypiperidin-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone with MolForge

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Related Compounds

1-(azepan-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
CID 83979472
2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 83979348
2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone
CID 83979359
[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81427148
1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol
CID 83979406
1-(azepan-1-yl)-2-(3-methylpiperazin-1-yl)-2-pyridin-2-ylethanone
CID 83980147
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol
CID 62942981
1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one
CID 116860088
2-(3-methylpiperazin-1-yl)-2-pyridin-2-ylacetic acid
CID 83980090
1-(azepan-1-yl)-2-chloro-2-(3-methylthiophen-2-yl)ethanone
CID 55047727
1-(3-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-2-phenylethanone
CID 119579647

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone (CID 83979467) is 1-(4-hydroxypiperidin-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone is Cc1ccsc1C(C(=O)N1CCC(O)CC1)N1CCNC(C)C1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone?
The InChIKey is KSGXRBGUOQXVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-12-5-10-23-16(12)15(20-9-6-18-13(2)11-20)17(22)19-7-3-14(21)4-8-19/h5,10,13-15,18,21H,3-4,6-9,11H2,1-2H3.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone?
1-(4-hydroxypiperidin-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone has a molecular weight of 337.49 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 83979467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).