1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one

C26H29N3O — CID 14581412

IUPAC1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(CCN3CCN(c4cccc5ccccc45)CC3)ccc21
InChIInChI=1S/C26H29N3O/c1-2-29-24-11-10-20(18-22(24)19-26(29)30)12-13-27-14-16-28(17-15-27)25-9-5-7-21-6-3-4-8-23(21)25/h3-11,18H,2,12-17,19H2,1H3
InChIKeySZIFDVUATXWDDZ-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.11
Rot. Bonds5

About 1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one

1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one (PubChem CID 14581412) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one
PubChem CID14581412
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(CCN3CCN(c4cccc5ccccc45)CC3)ccc21
InChIInChI=1S/C26H29N3O/c1-2-29-24-11-10-20(18-22(24)19-26(29)30)12-13-27-14-16-28(17-15-27)25-9-5-7-21-6-3-4-8-23(21)25/h3-11,18H,2,12-17,19H2,1H3
InChIKeySZIFDVUATXWDDZ-UHFFFAOYSA-N
XLogP4.11
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one
CID 11176199
5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazol-2-one;hydrochloride
CID 22464414
6-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one
CID 15054208
5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazole-2-thione
CID 102065934
5-(2-aminoethyl)-1-ethyl-3H-indol-2-one
CID 82190443
1-naphthalen-1-yl-4-pentylpiperazine
CID 20649330
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-chloro-3H-indol-2-one;hydrochloride
CID 21196262
5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one
CID 10597866
9-[4-(2-phenylethyl)piperazin-1-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 3044295
7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 138374883
5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one
CID 96669267
1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(naphthalen-1-ylmethyl)urea
CID 30375844

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one?
The IUPAC name of 1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one (CID 14581412) is 1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one.
What is the SMILES notation for 1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one?
The canonical SMILES for 1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one is CCN1C(=O)Cc2cc(CCN3CCN(c4cccc5ccccc45)CC3)ccc21.
What is the InChIKey of 1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one?
The InChIKey is SZIFDVUATXWDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-2-29-24-11-10-20(18-22(24)19-26(29)30)12-13-27-14-16-28(17-15-27)25-9-5-7-21-6-3-4-8-23(21)25/h3-11,18H,2,12-17,19H2,1H3.
What are the key properties of 1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one?
1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one has a molecular weight of 399.54 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one is sourced from PubChem (CID 14581412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).