[3-(methylsulfonylmethyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride

C13H25ClN2O3S — CID 154910982

IUPAC[3-(methylsulfonylmethyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
SMILESCS(=O)(=O)CC1CCCN(C(=O)C2CCNCC2)C1.Cl
InChIInChI=1S/C13H24N2O3S.ClH/c1-19(17,18)10-11-3-2-8-15(9-11)13(16)12-4-6-14-7-5-12;/h11-12,14H,2-10H2,1H3;1H
InChIKeyQQAHPBQQDGBDAD-UHFFFAOYSA-N
MW324.87 g/mol
LogP0.69
Rot. Bonds3

About [3-(methylsulfonylmethyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride

[3-(methylsulfonylmethyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride (PubChem CID 154910982) has the molecular formula C13H25ClN2O3S and a molecular weight of 324.87 g/mol. Its IUPAC name is [3-(methylsulfonylmethyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylsulfonylmethyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
PubChem CID154910982
Molecular FormulaC13H25ClN2O3S
Molecular Weight324.87 g/mol
Exact Mass324.13
IUPAC Name[3-(methylsulfonylmethyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
SMILESCS(=O)(=O)CC1CCCN(C(=O)C2CCNCC2)C1.Cl
InChIInChI=1S/C13H24N2O3S.ClH/c1-19(17,18)10-11-3-2-8-15(9-11)13(16)12-4-6-14-7-5-12;/h11-12,14H,2-10H2,1H3;1H
InChIKeyQQAHPBQQDGBDAD-UHFFFAOYSA-N
XLogP0.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.87
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 129394437
(4-aminocyclohexyl)-(3-ethylpiperidin-1-yl)methanone
CID 60846917
N-cyclopropyl-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 146083111
[(3R)-3-aminopiperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 131163040
cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736017
2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 63005504
(4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 119307759
[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone
CID 62806234
[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119867686
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 90192135
4-(methylsulfonylmethyl)azepane
CID 170910432

Frequently Asked Questions

What is the IUPAC name of [3-(methylsulfonylmethyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The IUPAC name of [3-(methylsulfonylmethyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride (CID 154910982) is [3-(methylsulfonylmethyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [3-(methylsulfonylmethyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The canonical SMILES for [3-(methylsulfonylmethyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride is CS(=O)(=O)CC1CCCN(C(=O)C2CCNCC2)C1.Cl.
What is the InChIKey of [3-(methylsulfonylmethyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The InChIKey is QQAHPBQQDGBDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S.ClH/c1-19(17,18)10-11-3-2-8-15(9-11)13(16)12-4-6-14-7-5-12;/h11-12,14H,2-10H2,1H3;1H.
What are the key properties of [3-(methylsulfonylmethyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
[3-(methylsulfonylmethyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride has a molecular weight of 324.87 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylsulfonylmethyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 154910982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).