(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C21H23N3O3 — CID 4909282

IUPAC(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)cc1
InChIInChI=1S/C21H23N3O3/c1-26-17-7-4-16(5-8-17)23-9-11-24(12-10-23)21(25)20-13-15-3-6-18(27-2)14-19(15)22-20/h3-8,13-14,22H,9-12H2,1-2H3
InChIKeyMBCSXDFTJPKQPA-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.15
Rot. Bonds4

About (6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 4909282) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID4909282
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)cc1
InChIInChI=1S/C21H23N3O3/c1-26-17-7-4-16(5-8-17)23-9-11-24(12-10-23)21(25)20-13-15-3-6-18(27-2)14-19(15)22-20/h3-8,13-14,22H,9-12H2,1-2H3
InChIKeyMBCSXDFTJPKQPA-UHFFFAOYSA-N
XLogP3.15
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 113207332
(3,4-dimethoxyphenyl)-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 38486486
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide
CID 71116278
4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide
CID 86969214
1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38494769
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone
CID 86821428
(6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537116
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one
CID 110856456
(2,6-dimethylmorpholin-4-yl)-(6-methoxy-1H-indol-2-yl)methanone
CID 4870192
[4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211150
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 46445914
[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone
CID 86958970

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 4909282) is (6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)cc1.
What is the InChIKey of (6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is MBCSXDFTJPKQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-17-7-4-16(5-8-17)23-9-11-24(12-10-23)21(25)20-13-15-3-6-18(27-2)14-19(15)22-20/h3-8,13-14,22H,9-12H2,1-2H3.
What are the key properties of (6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 365.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4909282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).