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

C13H25N3O3S — CID 978023

IUPAC(4-ethylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCCN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C13H25N3O3S/c1-3-14-8-10-15(11-9-14)13(17)12-4-6-16(7-5-12)20(2,18)19/h12H,3-11H2,1-2H3
InChIKeyHLCRIHOHZBAXAB-UHFFFAOYSA-N
MW303.43 g/mol
LogP-0.18
Rot. Bonds3

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

(4-ethylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 978023) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID978023
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name(4-ethylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCCN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C13H25N3O3S/c1-3-14-8-10-15(11-9-14)13(17)12-4-6-16(7-5-12)20(2,18)19/h12H,3-11H2,1-2H3
InChIKeyHLCRIHOHZBAXAB-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 (4-ethylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone (CID 978023) is (4-ethylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone is CCN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is HLCRIHOHZBAXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-3-14-8-10-15(11-9-14)13(17)12-4-6-16(7-5-12)20(2,18)19/h12H,3-11H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
(4-ethylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-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 (4-ethylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 978023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).