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

C23H27N3O3 — CID 71725004

IUPAC[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
SMILESCOc1cccc(OCCN2CCN(C(=O)c3cc4ccccc4n3C)CC2)c1
InChIInChI=1S/C23H27N3O3/c1-24-21-9-4-3-6-18(21)16-22(24)23(27)26-12-10-25(11-13-26)14-15-29-20-8-5-7-19(17-20)28-2/h3-9,16-17H,10-15H2,1-2H3
InChIKeyAWLBDMHHUUEDJN-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.02
Rot. Bonds6

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

[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone (PubChem CID 71725004) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is [4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
PubChem CID71725004
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
SMILESCOc1cccc(OCCN2CCN(C(=O)c3cc4ccccc4n3C)CC2)c1
InChIInChI=1S/C23H27N3O3/c1-24-21-9-4-3-6-18(21)16-22(24)23(27)26-12-10-25(11-13-26)14-15-29-20-8-5-7-19(17-20)28-2/h3-9,16-17H,10-15H2,1-2H3
InChIKeyAWLBDMHHUUEDJN-UHFFFAOYSA-N
XLogP3.02
TPSA46.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone with MolForge

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Related Compounds

(3,4-dimethoxyphenyl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571415
(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 77092201
(4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone
CID 110849904
(7-chloro-1H-indol-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71725008
(3,5-dimethoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 35147974
(4-methoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638198
(2R)-2-amino-1-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 120873129
[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone
CID 71725059
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275
(2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 55379370
[4-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 158422250
[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 110638188

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone?
The IUPAC name of [4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone (CID 71725004) is [4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone.
What is the SMILES notation for [4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone?
The canonical SMILES for [4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone is COc1cccc(OCCN2CCN(C(=O)c3cc4ccccc4n3C)CC2)c1.
What is the InChIKey of [4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone?
The InChIKey is AWLBDMHHUUEDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-24-21-9-4-3-6-18(21)16-22(24)23(27)26-12-10-25(11-13-26)14-15-29-20-8-5-7-19(17-20)28-2/h3-9,16-17H,10-15H2,1-2H3.
What are the key properties of [4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone?
[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone has a molecular weight of 393.49 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone is sourced from PubChem (CID 71725004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).