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

C15H19N3O2 — CID 66572107

IUPAC(4-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cccc2[nH]c(C(=O)N3CCN(C)CC3)cc12
InChIInChI=1S/C15H19N3O2/c1-17-6-8-18(9-7-17)15(19)13-10-11-12(16-13)4-3-5-14(11)20-2/h3-5,10,16H,6-9H2,1-2H3
InChIKeyNMWDTQBYSQYGHC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.56
Rot. Bonds2

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

(4-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 66572107) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (4-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID66572107
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(4-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cccc2[nH]c(C(=O)N3CCN(C)CC3)cc12
InChIInChI=1S/C15H19N3O2/c1-17-6-8-18(9-7-17)15(19)13-10-11-12(16-13)4-3-5-14(11)20-2/h3-5,10,16H,6-9H2,1-2H3
InChIKeyNMWDTQBYSQYGHC-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 (4-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 66572107) is (4-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone is COc1cccc2[nH]c(C(=O)N3CCN(C)CC3)cc12.
What is the InChIKey of (4-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is NMWDTQBYSQYGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-6-8-18(9-7-17)15(19)13-10-11-12(16-13)4-3-5-14(11)20-2/h3-5,10,16H,6-9H2,1-2H3.
What are the key properties of (4-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
(4-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 (4-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 66572107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).