4-[1-(2-methoxyethyl)cyclopropyl]sulfonyl-3-phenylpiperazin-2-one

C16H22N2O4S — CID 146105104

IUPAC4-[1-(2-methoxyethyl)cyclopropyl]sulfonyl-3-phenylpiperazin-2-one
SMILESCOCCC1(S(=O)(=O)N2CCNC(=O)C2c2ccccc2)CC1
InChIInChI=1S/C16H22N2O4S/c1-22-12-9-16(7-8-16)23(20,21)18-11-10-17-15(19)14(18)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,19)
InChIKeyFNLQLVQLTKRJRZ-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.06
Rot. Bonds6

About 4-[1-(2-methoxyethyl)cyclopropyl]sulfonyl-3-phenylpiperazin-2-one

4-[1-(2-methoxyethyl)cyclopropyl]sulfonyl-3-phenylpiperazin-2-one (PubChem CID 146105104) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)cyclopropyl]sulfonyl-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)cyclopropyl]sulfonyl-3-phenylpiperazin-2-one
PubChem CID146105104
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name4-[1-(2-methoxyethyl)cyclopropyl]sulfonyl-3-phenylpiperazin-2-one
SMILESCOCCC1(S(=O)(=O)N2CCNC(=O)C2c2ccccc2)CC1
InChIInChI=1S/C16H22N2O4S/c1-22-12-9-16(7-8-16)23(20,21)18-11-10-17-15(19)14(18)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,19)
InChIKeyFNLQLVQLTKRJRZ-UHFFFAOYSA-N
XLogP1.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethyl)cyclopropyl]sulfonyl-3-phenylpiperazin-2-one?
The IUPAC name of 4-[1-(2-methoxyethyl)cyclopropyl]sulfonyl-3-phenylpiperazin-2-one (CID 146105104) is 4-[1-(2-methoxyethyl)cyclopropyl]sulfonyl-3-phenylpiperazin-2-one.
What is the SMILES notation for 4-[1-(2-methoxyethyl)cyclopropyl]sulfonyl-3-phenylpiperazin-2-one?
The canonical SMILES for 4-[1-(2-methoxyethyl)cyclopropyl]sulfonyl-3-phenylpiperazin-2-one is COCCC1(S(=O)(=O)N2CCNC(=O)C2c2ccccc2)CC1.
What is the InChIKey of 4-[1-(2-methoxyethyl)cyclopropyl]sulfonyl-3-phenylpiperazin-2-one?
The InChIKey is FNLQLVQLTKRJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-22-12-9-16(7-8-16)23(20,21)18-11-10-17-15(19)14(18)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,19).
What are the key properties of 4-[1-(2-methoxyethyl)cyclopropyl]sulfonyl-3-phenylpiperazin-2-one?
4-[1-(2-methoxyethyl)cyclopropyl]sulfonyl-3-phenylpiperazin-2-one has a molecular weight of 338.43 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethyl)cyclopropyl]sulfonyl-3-phenylpiperazin-2-one is sourced from PubChem (CID 146105104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).