1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C22H27N3O4S — CID 146086918

IUPAC1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCCC2c2cc3ccccc3[nH]2)CN1C1CCS(=O)(=O)C1
InChIInChI=1S/C22H27N3O4S/c26-21-12-16(13-25(21)17-8-10-30(28,29)14-17)22(27)24-9-4-3-7-20(24)19-11-15-5-1-2-6-18(15)23-19/h1-2,5-6,11,16-17,20,23H,3-4,7-10,12-14H2
InChIKeyWNQZCSZRBSSUAS-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.26
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 146086918) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID146086918
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCCC2c2cc3ccccc3[nH]2)CN1C1CCS(=O)(=O)C1
InChIInChI=1S/C22H27N3O4S/c26-21-12-16(13-25(21)17-8-10-30(28,29)14-17)22(27)24-9-4-3-7-20(24)19-11-15-5-1-2-6-18(15)23-19/h1-2,5-6,11,16-17,20,23H,3-4,7-10,12-14H2
InChIKeyWNQZCSZRBSSUAS-UHFFFAOYSA-N
XLogP2.26
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 127477504
[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119776657
[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113089008
(4S)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 124731198
(3-aminocyclopentyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 119776626
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 126782301
(4R)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 25354358
(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-[(3R)-1,1-dioxothiolan-3-yl]pyrrolidin-2-one
CID 95276913
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113089000
N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide
CID 111109545
1-cyclopentyl-N-(1H-indol-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 71935324
(5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 71878068

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 146086918) is 1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is O=C1CC(C(=O)N2CCCCC2c2cc3ccccc3[nH]2)CN1C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is WNQZCSZRBSSUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c26-21-12-16(13-25(21)17-8-10-30(28,29)14-17)22(27)24-9-4-3-7-20(24)19-11-15-5-1-2-6-18(15)23-19/h1-2,5-6,11,16-17,20,23H,3-4,7-10,12-14H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 429.54 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 146086918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).