1-[2-(4-cyclopropyl-2-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione

C20H27N3O4S — CID 90566952

IUPAC1-[2-(4-cyclopropyl-2-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C20H27N3O4S/c24-19-7-4-8-20(25)22(19)13-14-28(26,27)23-12-11-21(17-9-10-17)15-18(23)16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2
InChIKeyKARUUFCFEFRREI-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.38
Rot. Bonds6

About 1-[2-(4-cyclopropyl-2-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione

1-[2-(4-cyclopropyl-2-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione (PubChem CID 90566952) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-[2-(4-cyclopropyl-2-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(4-cyclopropyl-2-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione
PubChem CID90566952
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name1-[2-(4-cyclopropyl-2-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C20H27N3O4S/c24-19-7-4-8-20(25)22(19)13-14-28(26,27)23-12-11-21(17-9-10-17)15-18(23)16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2
InChIKeyKARUUFCFEFRREI-UHFFFAOYSA-N
XLogP1.38
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopropyl-2-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-(4-cyclopropyl-2-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione (CID 90566952) is 1-[2-(4-cyclopropyl-2-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-(4-cyclopropyl-2-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-(4-cyclopropyl-2-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(C2CC2)CC1c1ccccc1.
What is the InChIKey of 1-[2-(4-cyclopropyl-2-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione?
The InChIKey is KARUUFCFEFRREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c24-19-7-4-8-20(25)22(19)13-14-28(26,27)23-12-11-21(17-9-10-17)15-18(23)16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2.
What are the key properties of 1-[2-(4-cyclopropyl-2-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione?
1-[2-(4-cyclopropyl-2-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione has a molecular weight of 405.52 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclopropyl-2-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione is sourced from PubChem (CID 90566952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).