1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one

C24H27N3O4S — CID 55438632

IUPAC1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1
InChIInChI=1S/C24H27N3O4S/c28-23-8-5-14-26(23)20-7-4-6-19(16-20)24(29)27-15-11-18-17-21(9-10-22(18)27)32(30,31)25-12-2-1-3-13-25/h4,6-7,9-10,16-17H,1-3,5,8,11-15H2
InChIKeyKFDOUKQVPLOBMX-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.19
Rot. Bonds4

About 1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one

1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 55438632) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID55438632
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1
InChIInChI=1S/C24H27N3O4S/c28-23-8-5-14-26(23)20-7-4-6-19(16-20)24(29)27-15-11-18-17-21(9-10-22(18)27)32(30,31)25-12-2-1-3-13-25/h4,6-7,9-10,16-17H,1-3,5,8,11-15H2
InChIKeyKFDOUKQVPLOBMX-UHFFFAOYSA-N
XLogP3.19
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one
CID 27825940
1-[4-[(E)-3-oxo-3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-1-enyl]phenyl]pyrrolidin-2-one
CID 55491590
(3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17418564
(3-chlorophenyl)-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17248252
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 55661488
[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1202064
1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one
CID 27829776
4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 55438572
N-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 55667826
furan-2-yl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17416161
(3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 19258901
1-methyl-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridin-2-one
CID 55574428

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one (CID 55438632) is 1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one is O=C1CCCN1c1cccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1.
What is the InChIKey of 1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is KFDOUKQVPLOBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c28-23-8-5-14-26(23)20-7-4-6-19(16-20)24(29)27-15-11-18-17-21(9-10-22(18)27)32(30,31)25-12-2-1-3-13-25/h4,6-7,9-10,16-17H,1-3,5,8,11-15H2.
What are the key properties of 1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one?
1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 453.56 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 55438632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).