(4-benzylpiperazin-1-yl)-(6-methoxy-1H-indol-5-yl)methanone

C21H23N3O2 — CID 25124305

IUPAC(4-benzylpiperazin-1-yl)-(6-methoxy-1H-indol-5-yl)methanone
SMILESCOc1cc2[nH]ccc2cc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N3O2/c1-26-20-14-19-17(7-8-22-19)13-18(20)21(25)24-11-9-23(10-12-24)15-16-5-3-2-4-6-16/h2-8,13-14,22H,9-12,15H2,1H3
InChIKeyHDESVHGUWVZPSL-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.13
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-(6-methoxy-1H-indol-5-yl)methanone

(4-benzylpiperazin-1-yl)-(6-methoxy-1H-indol-5-yl)methanone (PubChem CID 25124305) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(6-methoxy-1H-indol-5-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(6-methoxy-1H-indol-5-yl)methanone
PubChem CID25124305
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(4-benzylpiperazin-1-yl)-(6-methoxy-1H-indol-5-yl)methanone
SMILESCOc1cc2[nH]ccc2cc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N3O2/c1-26-20-14-19-17(7-8-22-19)13-18(20)21(25)24-11-9-23(10-12-24)15-16-5-3-2-4-6-16/h2-8,13-14,22H,9-12,15H2,1H3
InChIKeyHDESVHGUWVZPSL-UHFFFAOYSA-N
XLogP3.13
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(6-methoxy-1H-indol-5-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(6-methoxy-1H-indol-5-yl)methanone (CID 25124305) is (4-benzylpiperazin-1-yl)-(6-methoxy-1H-indol-5-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(6-methoxy-1H-indol-5-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(6-methoxy-1H-indol-5-yl)methanone is COc1cc2[nH]ccc2cc1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(6-methoxy-1H-indol-5-yl)methanone?
The InChIKey is HDESVHGUWVZPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-26-20-14-19-17(7-8-22-19)13-18(20)21(25)24-11-9-23(10-12-24)15-16-5-3-2-4-6-16/h2-8,13-14,22H,9-12,15H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(6-methoxy-1H-indol-5-yl)methanone?
(4-benzylpiperazin-1-yl)-(6-methoxy-1H-indol-5-yl)methanone has a molecular weight of 349.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(6-methoxy-1H-indol-5-yl)methanone is sourced from PubChem (CID 25124305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).