3-indol-1-yl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one

C20H23N3OS — CID 24505236

IUPAC3-indol-1-yl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCn1ccc2ccccc21)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H23N3OS/c24-20(6-9-22-8-5-18-3-1-2-4-19(18)22)23-12-10-21(11-13-23)15-17-7-14-25-16-17/h1-5,7-8,14,16H,6,9-13,15H2
InChIKeyICTWJHUVQQSRJI-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.44
Rot. Bonds5

About 3-indol-1-yl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one

3-indol-1-yl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one (PubChem CID 24505236) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 3-indol-1-yl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-indol-1-yl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one
PubChem CID24505236
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name3-indol-1-yl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCn1ccc2ccccc21)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H23N3OS/c24-20(6-9-22-8-5-18-3-1-2-4-19(18)22)23-12-10-21(11-13-23)15-17-7-14-25-16-17/h1-5,7-8,14,16H,6,9-13,15H2
InChIKeyICTWJHUVQQSRJI-UHFFFAOYSA-N
XLogP3.44
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-indol-1-ylpropan-1-one
CID 29206051
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-indol-1-ylpropan-1-one
CID 37350399
2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 9180639
5-chloro-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 54874778
1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one
CID 36615779
4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 79200562
3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 9255042
3-(1,3-benzothiazol-2-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 9180739
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-indol-1-ylpropan-1-one
CID 126778929
4-(methylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-1-one
CID 54869917
2-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 9180673
2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]sulfanylacetic acid
CID 104569508

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-indol-1-yl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one (CID 24505236) is 3-indol-1-yl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-indol-1-yl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-indol-1-yl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one is O=C(CCn1ccc2ccccc21)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 3-indol-1-yl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one?
The InChIKey is ICTWJHUVQQSRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c24-20(6-9-22-8-5-18-3-1-2-4-19(18)22)23-12-10-21(11-13-23)15-17-7-14-25-16-17/h1-5,7-8,14,16H,6,9-13,15H2.
What are the key properties of 3-indol-1-yl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one?
3-indol-1-yl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one has a molecular weight of 353.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 24505236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).