5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide

C26H30N4O2S — CID 166519385

IUPAC5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide
SMILESCN(C)C(=O)N1CCc2cc(C(=O)CCN3CCN(c4cccc5sccc45)CC3)ccc21
InChIInChI=1S/C26H30N4O2S/c1-27(2)26(32)30-12-8-19-18-20(6-7-22(19)30)24(31)9-11-28-13-15-29(16-14-28)23-4-3-5-25-21(23)10-17-33-25/h3-7,10,17-18H,8-9,11-16H2,1-2H3
InChIKeyWANWVGNGGMNEOQ-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.34
Rot. Bonds5

About 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide

5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide (PubChem CID 166519385) has the molecular formula C26H30N4O2S and a molecular weight of 462.62 g/mol. Its IUPAC name is 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide
PubChem CID166519385
Molecular FormulaC26H30N4O2S
Molecular Weight462.62 g/mol
Exact Mass462.21
IUPAC Name5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide
SMILESCN(C)C(=O)N1CCc2cc(C(=O)CCN3CCN(c4cccc5sccc45)CC3)ccc21
InChIInChI=1S/C26H30N4O2S/c1-27(2)26(32)30-12-8-19-18-20(6-7-22(19)30)24(31)9-11-28-13-15-29(16-14-28)23-4-3-5-25-21(23)10-17-33-25/h3-7,10,17-18H,8-9,11-16H2,1-2H3
InChIKeyWANWVGNGGMNEOQ-UHFFFAOYSA-N
XLogP4.34
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[4-(2-chlorophenyl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide
CID 166519378
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 166519396
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 166519389
2-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-3,4-dihydro-1H-isoquinoline
CID 69468370
2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine
CID 91076986
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one
CID 82136459
1-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-1-methylpyrazol-3-yl]ethanone;hydrochloride
CID 57499624
1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one
CID 66884891
N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-N-ethyl-2-sulfanylacetamide
CID 87693852
3-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-3-methyl-1,2-dihydropyrazol-3-yl]-1,1-dimethylurea;hydrochloride
CID 66646026
7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 138374883
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one
CID 94724136

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide (CID 166519385) is 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide is CN(C)C(=O)N1CCc2cc(C(=O)CCN3CCN(c4cccc5sccc45)CC3)ccc21.
What is the InChIKey of 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is WANWVGNGGMNEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2S/c1-27(2)26(32)30-12-8-19-18-20(6-7-22(19)30)24(31)9-11-28-13-15-29(16-14-28)23-4-3-5-25-21(23)10-17-33-25/h3-7,10,17-18H,8-9,11-16H2,1-2H3.
What are the key properties of 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide?
5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 462.62 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 166519385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).