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

C12H23N3O3S — CID 893267

IUPAC(4-methylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C12H23N3O3S/c1-13-7-9-14(10-8-13)12(16)11-3-5-15(6-4-11)19(2,17)18/h11H,3-10H2,1-2H3
InChIKeyNXFJNEOPYGUTAK-UHFFFAOYSA-N
MW289.40 g/mol
LogP-0.57
Rot. Bonds2

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

(4-methylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 893267) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID893267
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name(4-methylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C12H23N3O3S/c1-13-7-9-14(10-8-13)12(16)11-3-5-15(6-4-11)19(2,17)18/h11H,3-10H2,1-2H3
InChIKeyNXFJNEOPYGUTAK-UHFFFAOYSA-N
XLogP-0.57
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone (CID 893267) is (4-methylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone is CN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is NXFJNEOPYGUTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-13-7-9-14(10-8-13)12(16)11-3-5-15(6-4-11)19(2,17)18/h11H,3-10H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
(4-methylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 289.40 g/mol, XLogP of -0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 893267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).