1-methyl-4-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one

C16H22N2O3S — CID 162645892

IUPAC1-methyl-4-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one
SMILESCN1CC(c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1=O
InChIInChI=1S/C16H22N2O3S/c1-17-12-14(11-16(17)19)13-5-7-15(8-6-13)22(20,21)18-9-3-2-4-10-18/h5-8,14H,2-4,9-12H2,1H3
InChIKeyFJZVEOQSYSYUQK-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.81
Rot. Bonds3

About 1-methyl-4-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one

1-methyl-4-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one (PubChem CID 162645892) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-methyl-4-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one
PubChem CID162645892
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-methyl-4-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one
SMILESCN1CC(c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1=O
InChIInChI=1S/C16H22N2O3S/c1-17-12-14(11-16(17)19)13-5-7-15(8-6-13)22(20,21)18-9-3-2-4-10-18/h5-8,14H,2-4,9-12H2,1H3
InChIKeyFJZVEOQSYSYUQK-UHFFFAOYSA-N
XLogP1.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-4-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one (CID 162645892) is 1-methyl-4-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one is CN1CC(c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1=O.
What is the InChIKey of 1-methyl-4-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one?
The InChIKey is FJZVEOQSYSYUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-17-12-14(11-16(17)19)13-5-7-15(8-6-13)22(20,21)18-9-3-2-4-10-18/h5-8,14H,2-4,9-12H2,1H3.
What are the key properties of 1-methyl-4-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one?
1-methyl-4-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one has a molecular weight of 322.43 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 162645892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).