(6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

C21H23N3O2 — CID 113206568

IUPAC(6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc2c(C(=O)N3CCN(c4cccc(C)c4)CC3)c[nH]c2c1
InChIInChI=1S/C21H23N3O2/c1-15-4-3-5-16(12-15)23-8-10-24(11-9-23)21(25)19-14-22-20-13-17(26-2)6-7-18(19)20/h3-7,12-14,22H,8-11H2,1-2H3
InChIKeyCIFJIUYAAAZYGP-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.45
Rot. Bonds3

About (6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

(6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 113206568) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID113206568
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc2c(C(=O)N3CCN(c4cccc(C)c4)CC3)c[nH]c2c1
InChIInChI=1S/C21H23N3O2/c1-15-4-3-5-16(12-15)23-8-10-24(11-9-23)21(25)19-14-22-20-13-17(26-2)6-7-18(19)20/h3-7,12-14,22H,8-11H2,1-2H3
InChIKeyCIFJIUYAAAZYGP-UHFFFAOYSA-N
XLogP3.45
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(2-hydroxy-5-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17421447
(2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 25398097
(6-methoxy-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206512
(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113206035
[4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27040790
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 108990024
(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 112789681
2-[3-[4-(1H-indole-3-carbonyl)piperazin-1-yl]phenoxy]-2-methylpropanoic acid
CID 22399232
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110766171
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
(2S)-2-(4-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 41479279

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 113206568) is (6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is COc1ccc2c(C(=O)N3CCN(c4cccc(C)c4)CC3)c[nH]c2c1.
What is the InChIKey of (6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is CIFJIUYAAAZYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-4-3-5-16(12-15)23-8-10-24(11-9-23)21(25)19-14-22-20-13-17(26-2)6-7-18(19)20/h3-7,12-14,22H,8-11H2,1-2H3.
What are the key properties of (6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
(6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113206568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).