1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone

C14H26N2O3S — CID 79610693

IUPAC1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H26N2O3S/c1-12(17)14-7-3-4-8-15(14)10-13-6-5-9-16(11-13)20(2,18)19/h13-14H,3-11H2,1-2H3
InChIKeyOCALSACTAPOTMG-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.10
Rot. Bonds4

About 1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone

1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone (PubChem CID 79610693) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone
PubChem CID79610693
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H26N2O3S/c1-12(17)14-7-3-4-8-15(14)10-13-6-5-9-16(11-13)20(2,18)19/h13-14H,3-11H2,1-2H3
InChIKeyOCALSACTAPOTMG-UHFFFAOYSA-N
XLogP1.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone
CID 63844288
3-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]-1-methylsulfonylpiperidine
CID 80676287
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidine-3-carboxylic acid
CID 79612897
1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135
1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone
CID 63845675
(2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
CID 82713447
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol
CID 79622641
[3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119926264
(3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
CID 113249309
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
7-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,4-diazepane
CID 79622838
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone (CID 79610693) is 1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone is CC(=O)C1CCCCN1CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone?
The InChIKey is OCALSACTAPOTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-12(17)14-7-3-4-8-15(14)10-13-6-5-9-16(11-13)20(2,18)19/h13-14H,3-11H2,1-2H3.
What are the key properties of 1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone?
1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone has a molecular weight of 302.44 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone is sourced from PubChem (CID 79610693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).