(5-methoxy-3-methyl-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C22H25N3O3 — CID 4973504

IUPAC(5-methoxy-3-methyl-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3[nH]c4ccc(OC)cc4c3C)CC2)cc1
InChIInChI=1S/C22H25N3O3/c1-15-19-14-18(28-3)8-9-20(19)23-21(15)22(26)25-12-10-24(11-13-25)16-4-6-17(27-2)7-5-16/h4-9,14,23H,10-13H2,1-3H3
InChIKeyYVDLBLVOLJEZSU-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.46
Rot. Bonds4

About (5-methoxy-3-methyl-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

(5-methoxy-3-methyl-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 4973504) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (5-methoxy-3-methyl-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-3-methyl-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID4973504
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(5-methoxy-3-methyl-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3[nH]c4ccc(OC)cc4c3C)CC2)cc1
InChIInChI=1S/C22H25N3O3/c1-15-19-14-18(28-3)8-9-20(19)23-21(15)22(26)25-12-10-24(11-13-25)16-4-6-17(27-2)7-5-16/h4-9,14,23H,10-13H2,1-3H3
InChIKeyYVDLBLVOLJEZSU-UHFFFAOYSA-N
XLogP3.46
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-methyl-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-methoxy-3-methyl-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 4973504) is (5-methoxy-3-methyl-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methoxy-3-methyl-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methoxy-3-methyl-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3[nH]c4ccc(OC)cc4c3C)CC2)cc1.
What is the InChIKey of (5-methoxy-3-methyl-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is YVDLBLVOLJEZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-19-14-18(28-3)8-9-20(19)23-21(15)22(26)25-12-10-24(11-13-25)16-4-6-17(27-2)7-5-16/h4-9,14,23H,10-13H2,1-3H3.
What are the key properties of (5-methoxy-3-methyl-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
(5-methoxy-3-methyl-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 379.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-methyl-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4973504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).