3-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]piperidin-2-one

C18H23N3O2 — CID 172899527

IUPAC3-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]piperidin-2-one
SMILESO=C1NCCCC1N1CCC(C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C18H23N3O2/c22-17-16(6-3-9-19-17)20-10-7-14(12-20)18(23)21-11-8-13-4-1-2-5-15(13)21/h1-2,4-5,14,16H,3,6-12H2,(H,19,22)
InChIKeySVVUIVDJSFPCHE-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.18
Rot. Bonds2

About 3-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]piperidin-2-one

3-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]piperidin-2-one (PubChem CID 172899527) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name3-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]piperidin-2-one
PubChem CID172899527
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]piperidin-2-one
SMILESO=C1NCCCC1N1CCC(C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C18H23N3O2/c22-17-16(6-3-9-19-17)20-10-7-14(12-20)18(23)21-11-8-13-4-1-2-5-15(13)21/h1-2,4-5,14,16H,3,6-12H2,(H,19,22)
InChIKeySVVUIVDJSFPCHE-UHFFFAOYSA-N
XLogP1.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]piperidin-2-one
CID 172891114
4-(2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 110682120
3-(3,4-dihydro-1H-isoquinolin-2-yl)azepan-2-one
CID 131702103
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
[1-(cyclobutylmethyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172901228
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 9400843
2,3-dihydroindol-1-yl-(3-methylpiperidin-2-yl)methanone
CID 62340975
2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone
CID 172901505
1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone
CID 90511233
(1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 90513387
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone
CID 124554087
[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 39894254

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]piperidin-2-one?
The IUPAC name of 3-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]piperidin-2-one (CID 172899527) is 3-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]piperidin-2-one.
What is the SMILES notation for 3-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]piperidin-2-one?
The canonical SMILES for 3-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]piperidin-2-one is O=C1NCCCC1N1CCC(C(=O)N2CCc3ccccc32)C1.
What is the InChIKey of 3-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]piperidin-2-one?
The InChIKey is SVVUIVDJSFPCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17-16(6-3-9-19-17)20-10-7-14(12-20)18(23)21-11-8-13-4-1-2-5-15(13)21/h1-2,4-5,14,16H,3,6-12H2,(H,19,22).
What are the key properties of 3-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]piperidin-2-one?
3-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]piperidin-2-one has a molecular weight of 313.40 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]piperidin-2-one is sourced from PubChem (CID 172899527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).