(5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one

C20H18N4O — CID 22833237

IUPAC(5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one
SMILESO=C1NC[C@@H](c2c[nH]c3ccccc23)NC1c1c[nH]c2ccccc12
InChIInChI=1S/C20H18N4O/c25-20-19(15-10-22-17-8-4-2-6-13(15)17)24-18(11-23-20)14-9-21-16-7-3-1-5-12(14)16/h1-10,18-19,21-22,24H,11H2,(H,23,25)/t18-,19?/m0/s1
InChIKeyATXAEACKVOFPLU-OYKVQYDMSA-N
MW330.39 g/mol
LogP3.15
Rot. Bonds2

About (5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one

(5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one (PubChem CID 22833237) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is (5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one.

Molecular Properties

Compound Name(5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one
PubChem CID22833237
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name(5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one
SMILESO=C1NC[C@@H](c2c[nH]c3ccccc23)NC1c1c[nH]c2ccccc12
InChIInChI=1S/C20H18N4O/c25-20-19(15-10-22-17-8-4-2-6-13(15)17)24-18(11-23-20)14-9-21-16-7-3-1-5-12(14)16/h1-10,18-19,21-22,24H,11H2,(H,23,25)/t18-,19?/m0/s1
InChIKeyATXAEACKVOFPLU-OYKVQYDMSA-N
XLogP3.15
TPSA72.71 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)piperazin-2-one
CID 85275839
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346
(3R,4S)-4-(1H-indol-3-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 15516005
3-(6-fluoropiperidin-2-yl)-1H-indole
CID 154427287
3-(1H-indol-3-yl)oxiran-2-ol
CID 123804780
(5R)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484827
(5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484828
(4S)-4-(1H-indol-3-yl)-5-oxo-4,6-dihydro-3H-azepino[4,5-b]indole-2-carboxylic acid
CID 163035827
(3S,6R)-3-(4-aminobutyl)-6-(1H-indol-3-yl)piperazine-2,5-dione
CID 132562847
3-(3-bromocyclopentyl)-1H-indole
CID 130527678
4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one
CID 155758572
3-imino-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
CID 56977887

Frequently Asked Questions

What is the IUPAC name of (5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one?
The IUPAC name of (5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one (CID 22833237) is (5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one.
What is the SMILES notation for (5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one?
The canonical SMILES for (5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one is O=C1NC[C@@H](c2c[nH]c3ccccc23)NC1c1c[nH]c2ccccc12.
What is the InChIKey of (5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one?
The InChIKey is ATXAEACKVOFPLU-OYKVQYDMSA-N. The full InChI is InChI=1S/C20H18N4O/c25-20-19(15-10-22-17-8-4-2-6-13(15)17)24-18(11-23-20)14-9-21-16-7-3-1-5-12(14)16/h1-10,18-19,21-22,24H,11H2,(H,23,25)/t18-,19?/m0/s1.
What are the key properties of (5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one?
(5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one has a molecular weight of 330.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one is sourced from PubChem (CID 22833237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).