1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone

C13H25N3O3S — CID 110684423

IUPAC1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C13H25N3O3S/c1-12-3-5-15(6-4-12)13(17)11-14-7-9-16(10-8-14)20(2,18)19/h12H,3-11H2,1-2H3
InChIKeyIWHRJFRWBPYFTA-UHFFFAOYSA-N
MW303.43 g/mol
LogP-0.18
Rot. Bonds3

About 1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone

1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 110684423) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID110684423
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C13H25N3O3S/c1-12-3-5-15(6-4-12)13(17)11-14-7-9-16(10-8-14)20(2,18)19/h12H,3-11H2,1-2H3
InChIKeyIWHRJFRWBPYFTA-UHFFFAOYSA-N
XLogP-0.18
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521829
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 8742937
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone
CID 43168616
1-(4-ethylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 59555423
2-(4-acetyl-1,4-diazepan-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 127883264
2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 79874632
1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
CID 128925402
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110684444
2-(3-amino-4-methylpyrrolidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 103577107
2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 72901532
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 9435637

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 110684423) is 1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone is CC1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is IWHRJFRWBPYFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-12-3-5-15(6-4-12)13(17)11-14-7-9-16(10-8-14)20(2,18)19/h12H,3-11H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone?
1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 303.43 g/mol, XLogP of -0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110684423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).