(5-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

C15H19N3O — CID 4242975

IUPAC(5-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1
InChIInChI=1S/C15H19N3O/c1-11-3-4-13-12(9-11)10-14(16-13)15(19)18-7-5-17(2)6-8-18/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyXJMMCJLQDZQDAQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.86
Rot. Bonds1

About (5-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

(5-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 4242975) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (5-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID4242975
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(5-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1
InChIInChI=1S/C15H19N3O/c1-11-3-4-13-12(9-11)10-14(16-13)15(19)18-7-5-17(2)6-8-18/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyXJMMCJLQDZQDAQ-UHFFFAOYSA-N
XLogP1.86
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 4242975) is (5-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone is Cc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1.
What is the InChIKey of (5-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is XJMMCJLQDZQDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-3-4-13-12(9-11)10-14(16-13)15(19)18-7-5-17(2)6-8-18/h3-4,9-10,16H,5-8H2,1-2H3.
What are the key properties of (5-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
(5-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 257.34 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 4242975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).