1-[1-(1H-indole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one

C18H21N3O2 — CID 126855908

IUPAC1-[1-(1H-indole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C(c1c[nH]c2ccccc12)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C18H21N3O2/c22-17-6-3-9-21(17)13-7-10-20(11-8-13)18(23)15-12-19-16-5-2-1-4-14(15)16/h1-2,4-5,12-13,19H,3,6-11H2
InChIKeyLEYURTWSTRNKSB-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.39
Rot. Bonds2

About 1-[1-(1H-indole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(1H-indole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126855908) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[1-(1H-indole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(1H-indole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126855908
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-[1-(1H-indole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C(c1c[nH]c2ccccc12)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C18H21N3O2/c22-17-6-3-9-21(17)13-7-10-20(11-8-13)18(23)15-12-19-16-5-2-1-4-14(15)16/h1-2,4-5,12-13,19H,3,6-11H2
InChIKeyLEYURTWSTRNKSB-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

1-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 126855901
1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872329
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 49206253
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 137456369
(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
CID 65281682
4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 90540730
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
1H-indol-3-yl-(7-phenyl-1,4-thiazepan-4-yl)methanone
CID 73169009
1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803979
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 90511658

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-indole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(1H-indole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one (CID 126855908) is 1-[1-(1H-indole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(1H-indole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(1H-indole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one is O=C(c1c[nH]c2ccccc12)N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-[1-(1H-indole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is LEYURTWSTRNKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17-6-3-9-21(17)13-7-10-20(11-8-13)18(23)15-12-19-16-5-2-1-4-14(15)16/h1-2,4-5,12-13,19H,3,6-11H2.
What are the key properties of 1-[1-(1H-indole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(1H-indole-3-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-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126855908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).