1-piperidin-1-yl-2-(piperidin-3-ylmethylsulfonyl)ethanone

C13H24N2O3S — CID 82182083

IUPAC1-piperidin-1-yl-2-(piperidin-3-ylmethylsulfonyl)ethanone
SMILESO=C(CS(=O)(=O)CC1CCCNC1)N1CCCCC1
InChIInChI=1S/C13H24N2O3S/c16-13(15-7-2-1-3-8-15)11-19(17,18)10-12-5-4-6-14-9-12/h12,14H,1-11H2
InChIKeyRVJKLDGMXAMCNB-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.41
Rot. Bonds4

About 1-piperidin-1-yl-2-(piperidin-3-ylmethylsulfonyl)ethanone

1-piperidin-1-yl-2-(piperidin-3-ylmethylsulfonyl)ethanone (PubChem CID 82182083) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(piperidin-3-ylmethylsulfonyl)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(piperidin-3-ylmethylsulfonyl)ethanone
PubChem CID82182083
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name1-piperidin-1-yl-2-(piperidin-3-ylmethylsulfonyl)ethanone
SMILESO=C(CS(=O)(=O)CC1CCCNC1)N1CCCCC1
InChIInChI=1S/C13H24N2O3S/c16-13(15-7-2-1-3-8-15)11-19(17,18)10-12-5-4-6-14-9-12/h12,14H,1-11H2
InChIKeyRVJKLDGMXAMCNB-UHFFFAOYSA-N
XLogP0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

piperidine-1-carboxylic acid;[(3S)-piperidin-3-yl]methanol
CID 69280006
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2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone
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methyl 1-(2-piperidin-3-ylacetyl)piperidine-4-carboxylate
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CID 82182087
1-(3-ethylpiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62689348
1-(1-oxo-1,4-thiazinan-4-yl)-2-piperidin-3-ylethanone
CID 62691071
3-(butylsulfonylmethyl)piperidine
CID 82182109
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one
CID 107404314

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(piperidin-3-ylmethylsulfonyl)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(piperidin-3-ylmethylsulfonyl)ethanone (CID 82182083) is 1-piperidin-1-yl-2-(piperidin-3-ylmethylsulfonyl)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(piperidin-3-ylmethylsulfonyl)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(piperidin-3-ylmethylsulfonyl)ethanone is O=C(CS(=O)(=O)CC1CCCNC1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(piperidin-3-ylmethylsulfonyl)ethanone?
The InChIKey is RVJKLDGMXAMCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c16-13(15-7-2-1-3-8-15)11-19(17,18)10-12-5-4-6-14-9-12/h12,14H,1-11H2.
What are the key properties of 1-piperidin-1-yl-2-(piperidin-3-ylmethylsulfonyl)ethanone?
1-piperidin-1-yl-2-(piperidin-3-ylmethylsulfonyl)ethanone has a molecular weight of 288.41 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(piperidin-3-ylmethylsulfonyl)ethanone is sourced from PubChem (CID 82182083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).