[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone

C23H27N3O3 — CID 71725059

IUPAC[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone
SMILESCOc1cccc(OCCN2CCN(C(=O)c3[nH]c4ccccc4c3C)CC2)c1
InChIInChI=1S/C23H27N3O3/c1-17-20-8-3-4-9-21(20)24-22(17)23(27)26-12-10-25(11-13-26)14-15-29-19-7-5-6-18(16-19)28-2/h3-9,16,24H,10-15H2,1-2H3
InChIKeyUUMLEYKLLJNTQZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.32
Rot. Bonds6

About [4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone

[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone (PubChem CID 71725059) 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]-(3-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone
PubChem CID71725059
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone
SMILESCOc1cccc(OCCN2CCN(C(=O)c3[nH]c4ccccc4c3C)CC2)c1
InChIInChI=1S/C23H27N3O3/c1-17-20-8-3-4-9-21(20)24-22(17)23(27)26-12-10-25(11-13-26)14-15-29-19-7-5-6-18(16-19)28-2/h3-9,16,24H,10-15H2,1-2H3
InChIKeyUUMLEYKLLJNTQZ-UHFFFAOYSA-N
XLogP3.32
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dimethoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 35147974
(3,4-dimethoxyphenyl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571415
(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]-(1-methylindol-2-yl)methanone
CID 71725004
(7-chloro-1H-indol-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71725008
(4-benzylpiperazin-1-yl)-(3-methyl-1H-indol-2-yl)methanone
CID 113204222
(4-methoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638198
[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 110638188
cis-(1R,2S)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 24984707
[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 154889347
4-(6-methoxy-3-methyl-1H-indole-2-carbonyl)piperazine-1-carbaldehyde
CID 113205397
[4-(2-phenoxyethyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 27846975

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone?
The IUPAC name of [4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone (CID 71725059) is [4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for [4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone is COc1cccc(OCCN2CCN(C(=O)c3[nH]c4ccccc4c3C)CC2)c1.
What is the InChIKey of [4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone?
The InChIKey is UUMLEYKLLJNTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17-20-8-3-4-9-21(20)24-22(17)23(27)26-12-10-25(11-13-26)14-15-29-19-7-5-6-18(16-19)28-2/h3-9,16,24H,10-15H2,1-2H3.
What are the key properties of [4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone?
[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone has a molecular weight of 393.49 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 71725059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).