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

C15H29N3O3S — CID 113003728

IUPAC(4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone
SMILESCCCS(=O)(=O)N1CCC(C(=O)N2CCN(CC)CC2)CC1
InChIInChI=1S/C15H29N3O3S/c1-3-13-22(20,21)18-7-5-14(6-8-18)15(19)17-11-9-16(4-2)10-12-17/h14H,3-13H2,1-2H3
InChIKeyOCBGUEADIQCMGR-UHFFFAOYSA-N
MW331.48 g/mol
LogP0.60
Rot. Bonds5

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

(4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone (PubChem CID 113003728) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone
PubChem CID113003728
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC Name(4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone
SMILESCCCS(=O)(=O)N1CCC(C(=O)N2CCN(CC)CC2)CC1
InChIInChI=1S/C15H29N3O3S/c1-3-13-22(20,21)18-7-5-14(6-8-18)15(19)17-11-9-16(4-2)10-12-17/h14H,3-13H2,1-2H3
InChIKeyOCBGUEADIQCMGR-UHFFFAOYSA-N
XLogP0.60
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 50.60
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-propylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone (CID 113003728) is (4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone is CCCS(=O)(=O)N1CCC(C(=O)N2CCN(CC)CC2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone?
The InChIKey is OCBGUEADIQCMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-3-13-22(20,21)18-7-5-14(6-8-18)15(19)17-11-9-16(4-2)10-12-17/h14H,3-13H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone?
(4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone has a molecular weight of 331.48 g/mol, XLogP of 0.60, 5 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-propylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 113003728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).