4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one

C22H23N3OS — CID 138374801

IUPAC4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(CCN3CCN(c4cccc5sccc45)CC3)cccc2N1
InChIInChI=1S/C22H23N3OS/c26-22-15-18-16(3-1-4-19(18)23-22)7-9-24-10-12-25(13-11-24)20-5-2-6-21-17(20)8-14-27-21/h1-6,8,14H,7,9-13,15H2,(H,23,26)
InChIKeyRYDSNIMRMQKABP-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.76
Rot. Bonds4

About 4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one

4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one (PubChem CID 138374801) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is 4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one
PubChem CID138374801
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(CCN3CCN(c4cccc5sccc45)CC3)cccc2N1
InChIInChI=1S/C22H23N3OS/c26-22-15-18-16(3-1-4-19(18)23-22)7-9-24-10-12-25(13-11-24)20-5-2-6-21-17(20)8-14-27-21/h1-6,8,14H,7,9-13,15H2,(H,23,26)
InChIKeyRYDSNIMRMQKABP-UHFFFAOYSA-N
XLogP3.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one (CID 138374801) is 4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one is O=C1Cc2c(CCN3CCN(c4cccc5sccc45)CC3)cccc2N1.
What is the InChIKey of 4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The InChIKey is RYDSNIMRMQKABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c26-22-15-18-16(3-1-4-19(18)23-22)7-9-24-10-12-25(13-11-24)20-5-2-6-21-17(20)8-14-27-21/h1-6,8,14H,7,9-13,15H2,(H,23,26).
What are the key properties of 4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one?
4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one has a molecular weight of 377.51 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 138374801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).