(4-bromo-7-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

C15H18BrN3O — CID 10131823

IUPAC(4-bromo-7-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(Br)c2cc(C(=O)N3CCN(C)CC3)[nH]c12
InChIInChI=1S/C15H18BrN3O/c1-10-3-4-12(16)11-9-13(17-14(10)11)15(20)19-7-5-18(2)6-8-19/h3-4,9,17H,5-8H2,1-2H3
InChIKeyXSAHKLVDRXTVCY-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.63
Rot. Bonds1

About (4-bromo-7-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

(4-bromo-7-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 10131823) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is (4-bromo-7-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-7-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID10131823
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name(4-bromo-7-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(Br)c2cc(C(=O)N3CCN(C)CC3)[nH]c12
InChIInChI=1S/C15H18BrN3O/c1-10-3-4-12(16)11-9-13(17-14(10)11)15(20)19-7-5-18(2)6-8-19/h3-4,9,17H,5-8H2,1-2H3
InChIKeyXSAHKLVDRXTVCY-UHFFFAOYSA-N
XLogP2.63
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78828303
(4-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 66572106
(2-chloro-3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 24740004
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
(2-bromo-5-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80953724
aziridin-1-yl-(4-bromo-3-methylphenyl)methanone
CID 131112534
[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone
CID 166251917
(7-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 110849285
4-bromo-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 90351143
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006
(4-methylpiperazin-1-yl)-(5-propyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methanone
CID 70938070

Frequently Asked Questions

What is the IUPAC name of (4-bromo-7-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-bromo-7-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 10131823) is (4-bromo-7-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-bromo-7-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-bromo-7-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone is Cc1ccc(Br)c2cc(C(=O)N3CCN(C)CC3)[nH]c12.
What is the InChIKey of (4-bromo-7-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is XSAHKLVDRXTVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-10-3-4-12(16)11-9-13(17-14(10)11)15(20)19-7-5-18(2)6-8-19/h3-4,9,17H,5-8H2,1-2H3.
What are the key properties of (4-bromo-7-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
(4-bromo-7-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 336.23 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-7-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 10131823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).