3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one

C24H27N3O3 — CID 39354592

IUPAC3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C24H27N3O3/c1-25-17-20(19-8-4-5-9-21(19)25)24(29)27-15-13-26(14-16-27)23(28)12-11-18-7-3-6-10-22(18)30-2/h3-10,17H,11-16H2,1-2H3
InChIKeyJYIQBSVLJNIVST-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.10
Rot. Bonds5

About 3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one

3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 39354592) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID39354592
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C24H27N3O3/c1-25-17-20(19-8-4-5-9-21(19)25)24(29)27-15-13-26(14-16-27)23(28)12-11-18-7-3-6-10-22(18)30-2/h3-10,17H,11-16H2,1-2H3
InChIKeyJYIQBSVLJNIVST-UHFFFAOYSA-N
XLogP3.10
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 39711237
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone
CID 9034036
1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800667
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
1-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471047
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110755813
methyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate
CID 71701683
4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde
CID 110762463
3-(2-methoxyphenyl)-1-[4-(3-oxo-3-phenylpropyl)piperazin-1-yl]propan-1-one
CID 110398643

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one (CID 39354592) is 3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one is COc1ccccc1CCC(=O)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is JYIQBSVLJNIVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-25-17-20(19-8-4-5-9-21(19)25)24(29)27-15-13-26(14-16-27)23(28)12-11-18-7-3-6-10-22(18)30-2/h3-10,17H,11-16H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one?
3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 405.50 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 39354592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).