(4-ethylpiperazin-1-yl)-(5-methoxy-3-methyl-1H-indol-2-yl)methanone

C17H23N3O2 — CID 4900021

IUPAC(4-ethylpiperazin-1-yl)-(5-methoxy-3-methyl-1H-indol-2-yl)methanone
SMILESCCN1CCN(C(=O)c2[nH]c3ccc(OC)cc3c2C)CC1
InChIInChI=1S/C17H23N3O2/c1-4-19-7-9-20(10-8-19)17(21)16-12(2)14-11-13(22-3)5-6-15(14)18-16/h5-6,11,18H,4,7-10H2,1-3H3
InChIKeyWGDNXBJLJZVOSR-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.26
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-(5-methoxy-3-methyl-1H-indol-2-yl)methanone

(4-ethylpiperazin-1-yl)-(5-methoxy-3-methyl-1H-indol-2-yl)methanone (PubChem CID 4900021) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(5-methoxy-3-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(5-methoxy-3-methyl-1H-indol-2-yl)methanone
PubChem CID4900021
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(4-ethylpiperazin-1-yl)-(5-methoxy-3-methyl-1H-indol-2-yl)methanone
SMILESCCN1CCN(C(=O)c2[nH]c3ccc(OC)cc3c2C)CC1
InChIInChI=1S/C17H23N3O2/c1-4-19-7-9-20(10-8-19)17(21)16-12(2)14-11-13(22-3)5-6-15(14)18-16/h5-6,11,18H,4,7-10H2,1-3H3
InChIKeyWGDNXBJLJZVOSR-UHFFFAOYSA-N
XLogP2.26
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(5-methoxy-3-methyl-1H-indol-2-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(5-methoxy-3-methyl-1H-indol-2-yl)methanone (CID 4900021) is (4-ethylpiperazin-1-yl)-(5-methoxy-3-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(5-methoxy-3-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(5-methoxy-3-methyl-1H-indol-2-yl)methanone is CCN1CCN(C(=O)c2[nH]c3ccc(OC)cc3c2C)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(5-methoxy-3-methyl-1H-indol-2-yl)methanone?
The InChIKey is WGDNXBJLJZVOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-19-7-9-20(10-8-19)17(21)16-12(2)14-11-13(22-3)5-6-15(14)18-16/h5-6,11,18H,4,7-10H2,1-3H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(5-methoxy-3-methyl-1H-indol-2-yl)methanone?
(4-ethylpiperazin-1-yl)-(5-methoxy-3-methyl-1H-indol-2-yl)methanone has a molecular weight of 301.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(5-methoxy-3-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 4900021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).