1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one

C18H21N3O2 — CID 126899305

IUPAC1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C18H21N3O2/c22-17-2-1-9-21(17)15-6-10-20(11-7-15)18(23)14-3-4-16-13(12-14)5-8-19-16/h3-5,8,12,15,19H,1-2,6-7,9-11H2
InChIKeyIXUIRRJYRRHZAA-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.39
Rot. Bonds2

About 1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899305) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899305
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C18H21N3O2/c22-17-2-1-9-21(17)15-6-10-20(11-7-15)18(23)14-3-4-16-13(12-14)5-8-19-16/h3-5,8,12,15,19H,1-2,6-7,9-11H2
InChIKeyIXUIRRJYRRHZAA-UHFFFAOYSA-N
XLogP2.39
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 70776536
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
1-[1-(4H-furo[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 138996131
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 112627387
1-[1-(1H-indole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 126855908
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 115775238
6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862236
[4-(1H-indole-5-carbonyl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 137335812
(1R,2S,8R,9S)-8-[(dimethylamino)methyl]-11-(1H-indole-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 169421107
2-(1H-indole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 68579752
(4aS,8aR)-1-(3-hydroxypropyl)-6-(1H-indole-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56913445
1H-indol-5-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185245

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one (CID 126899305) is 1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one is O=C(c1ccc2[nH]ccc2c1)N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is IXUIRRJYRRHZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17-2-1-9-21(17)15-6-10-20(11-7-15)18(23)14-3-4-16-13(12-14)5-8-19-16/h3-5,8,12,15,19H,1-2,6-7,9-11H2.
What are the key properties of 1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 311.38 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).