1-ethyl-5-piperazin-1-yl-3H-indol-2-one

C14H19N3O — CID 117099892

IUPAC1-ethyl-5-piperazin-1-yl-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C14H19N3O/c1-2-17-13-4-3-12(9-11(13)10-14(17)18)16-7-5-15-6-8-16/h3-4,9,15H,2,5-8,10H2,1H3
InChIKeyKVSBSJZTOYQYPZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.01
Rot. Bonds2

About 1-ethyl-5-piperazin-1-yl-3H-indol-2-one

1-ethyl-5-piperazin-1-yl-3H-indol-2-one (PubChem CID 117099892) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-ethyl-5-piperazin-1-yl-3H-indol-2-one.

Molecular Properties

Compound Name1-ethyl-5-piperazin-1-yl-3H-indol-2-one
PubChem CID117099892
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-ethyl-5-piperazin-1-yl-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C14H19N3O/c1-2-17-13-4-3-12(9-11(13)10-14(17)18)16-7-5-15-6-8-16/h3-4,9,15H,2,5-8,10H2,1H3
InChIKeyKVSBSJZTOYQYPZ-UHFFFAOYSA-N
XLogP1.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-piperazin-1-yl-1-propyl-3H-indol-2-one
CID 117099888
2-ethyl-5-piperazin-1-ylisoindole-1,3-dione
CID 117006287
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one
CID 28707300
5-(2-aminoethyl)-1-ethyl-3H-indol-2-one
CID 82190443
1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one
CID 82172045
N,N-diethyl-2-(3-oxo-7-piperazin-1-yl-1,4-benzoxazin-4-yl)acetamide
CID 39163327
1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one
CID 82172057
6-piperazin-1-yl-2,3-dihydroisoindol-1-one
CID 130366423
1-ethyl-2-oxo-N-propyl-3H-indole-5-carboxamide
CID 71840741
2-(4-chlorophenyl)-5-(cyclopropylmethyl)-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one
CID 53251480
5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one
CID 162255854

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-piperazin-1-yl-3H-indol-2-one?
The IUPAC name of 1-ethyl-5-piperazin-1-yl-3H-indol-2-one (CID 117099892) is 1-ethyl-5-piperazin-1-yl-3H-indol-2-one.
What is the SMILES notation for 1-ethyl-5-piperazin-1-yl-3H-indol-2-one?
The canonical SMILES for 1-ethyl-5-piperazin-1-yl-3H-indol-2-one is CCN1C(=O)Cc2cc(N3CCNCC3)ccc21.
What is the InChIKey of 1-ethyl-5-piperazin-1-yl-3H-indol-2-one?
The InChIKey is KVSBSJZTOYQYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-17-13-4-3-12(9-11(13)10-14(17)18)16-7-5-15-6-8-16/h3-4,9,15H,2,5-8,10H2,1H3.
What are the key properties of 1-ethyl-5-piperazin-1-yl-3H-indol-2-one?
1-ethyl-5-piperazin-1-yl-3H-indol-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-piperazin-1-yl-3H-indol-2-one is sourced from PubChem (CID 117099892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).