1-(5,6-dihydro-1H-indol-3-yl)-2-piperazin-1-ylethane-1,2-dione;ethane

C16H23N3O2 — CID 142277447

IUPAC1-(5,6-dihydro-1H-indol-3-yl)-2-piperazin-1-ylethane-1,2-dione;ethane
SMILESCC.O=C(C(=O)N1CCNCC1)c1c[nH]c2c1=CCCC=2
InChIInChI=1S/C14H17N3O2.C2H6/c18-13(14(19)17-7-5-15-6-8-17)11-9-16-12-4-2-1-3-10(11)12;1-2/h3-4,9,15-16H,1-2,5-8H2;1-2H3
InChIKeyABKJNGGYXUAPBQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.01
Rot. Bonds2

About 1-(5,6-dihydro-1H-indol-3-yl)-2-piperazin-1-ylethane-1,2-dione;ethane

1-(5,6-dihydro-1H-indol-3-yl)-2-piperazin-1-ylethane-1,2-dione;ethane (PubChem CID 142277447) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(5,6-dihydro-1H-indol-3-yl)-2-piperazin-1-ylethane-1,2-dione;ethane.

Molecular Properties

Compound Name1-(5,6-dihydro-1H-indol-3-yl)-2-piperazin-1-ylethane-1,2-dione;ethane
PubChem CID142277447
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(5,6-dihydro-1H-indol-3-yl)-2-piperazin-1-ylethane-1,2-dione;ethane
SMILESCC.O=C(C(=O)N1CCNCC1)c1c[nH]c2c1=CCCC=2
InChIInChI=1S/C14H17N3O2.C2H6/c18-13(14(19)17-7-5-15-6-8-17)11-9-16-12-4-2-1-3-10(11)12;1-2/h3-4,9,15-16H,1-2,5-8H2;1-2H3
InChIKeyABKJNGGYXUAPBQ-UHFFFAOYSA-N
XLogP0.01
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(5,6-dihydro-1H-indol-3-yl)-2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethane-1,2-dione
CID 129159713
1-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione
CID 141071356
CID 89114397
CID 89114397
1-(7-bromo-4-methoxy-1H-indol-3-yl)-2-piperazin-1-ylethane-1,2-dione
CID 70934773
1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 130547937
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 81115688
4-fluoro-3-(2-oxo-2-piperazin-1-ylacetyl)-1H-pyrrolo[2,3-c]pyridine-7-carbaldehyde
CID 142987022
2-oxo-2-piperazin-1-ylacetic acid
CID 2050152
1-(4-hydroxy-4-methylazepan-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 107405797
1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 28507184
1-[4-methoxy-7-(6-oxo-1H-pyrazin-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-piperazin-1-ylethane-1,2-dione
CID 91011492
N-(3,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 23555753

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-1H-indol-3-yl)-2-piperazin-1-ylethane-1,2-dione;ethane?
The IUPAC name of 1-(5,6-dihydro-1H-indol-3-yl)-2-piperazin-1-ylethane-1,2-dione;ethane (CID 142277447) is 1-(5,6-dihydro-1H-indol-3-yl)-2-piperazin-1-ylethane-1,2-dione;ethane.
What is the SMILES notation for 1-(5,6-dihydro-1H-indol-3-yl)-2-piperazin-1-ylethane-1,2-dione;ethane?
The canonical SMILES for 1-(5,6-dihydro-1H-indol-3-yl)-2-piperazin-1-ylethane-1,2-dione;ethane is CC.O=C(C(=O)N1CCNCC1)c1c[nH]c2c1=CCCC=2.
What is the InChIKey of 1-(5,6-dihydro-1H-indol-3-yl)-2-piperazin-1-ylethane-1,2-dione;ethane?
The InChIKey is ABKJNGGYXUAPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.C2H6/c18-13(14(19)17-7-5-15-6-8-17)11-9-16-12-4-2-1-3-10(11)12;1-2/h3-4,9,15-16H,1-2,5-8H2;1-2H3.
What are the key properties of 1-(5,6-dihydro-1H-indol-3-yl)-2-piperazin-1-ylethane-1,2-dione;ethane?
1-(5,6-dihydro-1H-indol-3-yl)-2-piperazin-1-ylethane-1,2-dione;ethane has a molecular weight of 289.38 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-1H-indol-3-yl)-2-piperazin-1-ylethane-1,2-dione;ethane is sourced from PubChem (CID 142277447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).