[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone

C21H23N3O2 — CID 9034036

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C21H23N3O2/c1-22-15-17(16-7-3-4-8-18(16)22)21(25)24-13-11-23(12-14-24)19-9-5-6-10-20(19)26-2/h3-10,15H,11-14H2,1-2H3
InChIKeyPMMGRVYKJXQTBI-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.15
Rot. Bonds3

About [4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone (PubChem CID 9034036) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone
PubChem CID9034036
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C21H23N3O2/c1-22-15-17(16-7-3-4-8-18(16)22)21(25)24-13-11-23(12-14-24)19-9-5-6-10-20(19)26-2/h3-10,15H,11-14H2,1-2H3
InChIKeyPMMGRVYKJXQTBI-UHFFFAOYSA-N
XLogP3.15
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methoxy-1-methylindol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 71701857
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 84556273
4-(2-methoxyphenyl)-N-(1-methylindol-3-yl)piperazine-1-carboxamide
CID 16803740
3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 39354592
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
(1,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 51309191
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde
CID 110762463
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 31301024
N-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 1108322

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone (CID 9034036) is [4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone is COc1ccccc1N1CCN(C(=O)c2cn(C)c3ccccc23)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone?
The InChIKey is PMMGRVYKJXQTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-22-15-17(16-7-3-4-8-18(16)22)21(25)24-13-11-23(12-14-24)19-9-5-6-10-20(19)26-2/h3-10,15H,11-14H2,1-2H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone has a molecular weight of 349.43 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 9034036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).