(6-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

C15H19N3O2 — CID 4905344

IUPAC(6-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCN(C)CC3)[nH]c2c1
InChIInChI=1S/C15H19N3O2/c1-17-5-7-18(8-6-17)15(19)14-9-11-3-4-12(20-2)10-13(11)16-14/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyVZSXALSSTLGZGH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.56
Rot. Bonds2

About (6-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

(6-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 4905344) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (6-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID4905344
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(6-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCN(C)CC3)[nH]c2c1
InChIInChI=1S/C15H19N3O2/c1-17-5-7-18(8-6-17)15(19)14-9-11-3-4-12(20-2)10-13(11)16-14/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyVZSXALSSTLGZGH-UHFFFAOYSA-N
XLogP1.56
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (6-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 4905344) is (6-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (6-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone is COc1ccc2cc(C(=O)N3CCN(C)CC3)[nH]c2c1.
What is the InChIKey of (6-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is VZSXALSSTLGZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-5-7-18(8-6-17)15(19)14-9-11-3-4-12(20-2)10-13(11)16-14/h3-4,9-10,16H,5-8H2,1-2H3.
What are the key properties of (6-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
(6-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 4905344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).