(1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone

C13H25N3O3S — CID 3469902

IUPAC(1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H25N3O3S/c1-3-20(18,19)16-6-4-12(5-7-16)13(17)15-10-8-14(2)9-11-15/h12H,3-11H2,1-2H3
InChIKeyPJTGYXFUSJINQB-UHFFFAOYSA-N
MW303.43 g/mol
LogP-0.18
Rot. Bonds3

About (1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone

(1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 3469902) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is (1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID3469902
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name(1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H25N3O3S/c1-3-20(18,19)16-6-4-12(5-7-16)13(17)15-10-8-14(2)9-11-15/h12H,3-11H2,1-2H3
InChIKeyPJTGYXFUSJINQB-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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Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone (CID 3469902) is (1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone is CCS(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of (1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is PJTGYXFUSJINQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-3-20(18,19)16-6-4-12(5-7-16)13(17)15-10-8-14(2)9-11-15/h12H,3-11H2,1-2H3.
What are the key properties of (1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone?
(1-ethylsulfonylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone 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-ethylsulfonylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 3469902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).