3-(1-ethylindol-6-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one

C24H29N3O2 — CID 50847816

IUPAC3-(1-ethylindol-6-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCCn1ccc2ccc(CCC(=O)N3CCN(c4cccc(OC)c4)CC3)cc21
InChIInChI=1S/C24H29N3O2/c1-3-25-12-11-20-9-7-19(17-23(20)25)8-10-24(28)27-15-13-26(14-16-27)21-5-4-6-22(18-21)29-2/h4-7,9,11-12,17-18H,3,8,10,13-16H2,1-2H3
InChIKeyQFRSWNCWASVXPD-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.95
Rot. Bonds6

About 3-(1-ethylindol-6-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one

3-(1-ethylindol-6-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 50847816) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-(1-ethylindol-6-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1-ethylindol-6-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID50847816
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-(1-ethylindol-6-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCCn1ccc2ccc(CCC(=O)N3CCN(c4cccc(OC)c4)CC3)cc21
InChIInChI=1S/C24H29N3O2/c1-3-25-12-11-20-9-7-19(17-23(20)25)8-10-24(28)27-15-13-26(14-16-27)21-5-4-6-22(18-21)29-2/h4-7,9,11-12,17-18H,3,8,10,13-16H2,1-2H3
InChIKeyQFRSWNCWASVXPD-UHFFFAOYSA-N
XLogP3.95
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-methylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 38601321
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1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 60556729
3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
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1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfanylpropan-1-one
CID 31912861
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one
CID 71840841
3-(3-methoxyphenyl)-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
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1-[4-[3-(3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796689
3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 174284864
3-(3-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 34318339
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylindol-6-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(1-ethylindol-6-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 50847816) is 3-(1-ethylindol-6-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1-ethylindol-6-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(1-ethylindol-6-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one is CCn1ccc2ccc(CCC(=O)N3CCN(c4cccc(OC)c4)CC3)cc21.
What is the InChIKey of 3-(1-ethylindol-6-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is QFRSWNCWASVXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-25-12-11-20-9-7-19(17-23(20)25)8-10-24(28)27-15-13-26(14-16-27)21-5-4-6-22(18-21)29-2/h4-7,9,11-12,17-18H,3,8,10,13-16H2,1-2H3.
What are the key properties of 3-(1-ethylindol-6-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one?
3-(1-ethylindol-6-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 391.52 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylindol-6-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 50847816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).