1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone

C26H33N3O2 — CID 58968072

IUPAC1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
SMILESCOc1cccc2c(C(C)=O)cn(CCCN3CCN(c4c(C)cccc4C)CC3)c12
InChIInChI=1S/C26H33N3O2/c1-19-8-5-9-20(2)25(19)28-16-14-27(15-17-28)12-7-13-29-18-23(21(3)30)22-10-6-11-24(31-4)26(22)29/h5-6,8-11,18H,7,12-17H2,1-4H3
InChIKeySRZZBIYCIXNFTK-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.68
Rot. Bonds7

About 1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone

1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone (PubChem CID 58968072) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
PubChem CID58968072
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
SMILESCOc1cccc2c(C(C)=O)cn(CCCN3CCN(c4c(C)cccc4C)CC3)c12
InChIInChI=1S/C26H33N3O2/c1-19-8-5-9-20(2)25(19)28-16-14-27(15-17-28)12-7-13-29-18-23(21(3)30)22-10-6-11-24(31-4)26(22)29/h5-6,8-11,18H,7,12-17H2,1-4H3
InChIKeySRZZBIYCIXNFTK-UHFFFAOYSA-N
XLogP4.68
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[3-[4-(2-chlorophenoxy)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;oxalic acid
CID 161294384
8-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 58968079
1-[1-[2-(dimethylamino)ethyl]-7-methoxyindol-3-yl]ethanone
CID 117098685
1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide
CID 58968321
7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide
CID 58968285
[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone
CID 58967725
[1-[3-[4-(3-chlorophenoxy)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
CID 58968527
7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid
CID 67255185
4-(3-acetyl-7-methylindol-1-yl)butanoic acid
CID 117098575
1-[7-bromo-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 58968272
1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone
CID 160895395
1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone
CID 58968460

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?
The IUPAC name of 1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone (CID 58968072) is 1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone is COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4c(C)cccc4C)CC3)c12.
What is the InChIKey of 1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?
The InChIKey is SRZZBIYCIXNFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-19-8-5-9-20(2)25(19)28-16-14-27(15-17-28)12-7-13-29-18-23(21(3)30)22-10-6-11-24(31-4)26(22)29/h5-6,8-11,18H,7,12-17H2,1-4H3.
What are the key properties of 1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?
1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone has a molecular weight of 419.57 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone is sourced from PubChem (CID 58968072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).