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

C15H20N2O3S — CID 745878

IUPAC1-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H20N2O3S/c18-15-5-4-12-17(15)13-6-8-14(9-7-13)21(19,20)16-10-2-1-3-11-16/h6-9H,1-5,10-12H2
InChIKeyMHPNPLGXASZSRU-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.99
Rot. Bonds3

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

1-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one (PubChem CID 745878) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one
PubChem CID745878
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H20N2O3S/c18-15-5-4-12-17(15)13-6-8-14(9-7-13)21(19,20)16-10-2-1-3-11-16/h6-9H,1-5,10-12H2
InChIKeyMHPNPLGXASZSRU-UHFFFAOYSA-N
XLogP1.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one (CID 745878) is 1-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one is O=C1CCCN1c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one?
The InChIKey is MHPNPLGXASZSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-15-5-4-12-17(15)13-6-8-14(9-7-13)21(19,20)16-10-2-1-3-11-16/h6-9H,1-5,10-12H2.
What are the key properties of 1-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one?
1-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one has a molecular weight of 308.40 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 745878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).