1-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanone

C15H29N3O3S — CID 47082292

IUPAC1-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanone
SMILESCN(C)C1CCN(C(=O)CC2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C15H29N3O3S/c1-16(2)14-6-8-17(9-7-14)15(19)12-13-4-10-18(11-5-13)22(3,20)21/h13-14H,4-12H2,1-3H3
InChIKeyKJIWZHFPRRONJN-UHFFFAOYSA-N
MW331.48 g/mol
LogP0.60
Rot. Bonds4

About 1-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanone

1-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanone (PubChem CID 47082292) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is 1-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanone
PubChem CID47082292
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC Name1-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanone
SMILESCN(C)C1CCN(C(=O)CC2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C15H29N3O3S/c1-16(2)14-6-8-17(9-7-14)15(19)12-13-4-10-18(11-5-13)22(3,20)21/h13-14H,4-12H2,1-3H3
InChIKeyKJIWZHFPRRONJN-UHFFFAOYSA-N
XLogP0.60
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 63611894
1-[4-(dimethylamino)piperidin-1-yl]-2-[[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-methylamino]ethanone
CID 144771309
tris(1-[4-(dimethylamino)piperidin-1-yl]butane-1,3-dione);iron(3+)
CID 53467781
2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
CID 50950882
N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990361
2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62994159
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanone
CID 164643350
1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane
CID 143677842
2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol
CID 170271382
1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride
CID 119423614
1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110684423
2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone
CID 90584553

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanone?
The IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanone (CID 47082292) is 1-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanone is CN(C)C1CCN(C(=O)CC2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of 1-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanone?
The InChIKey is KJIWZHFPRRONJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-16(2)14-6-8-17(9-7-14)15(19)12-13-4-10-18(11-5-13)22(3,20)21/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanone?
1-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanone has a molecular weight of 331.48 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanone is sourced from PubChem (CID 47082292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).