(7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone

C15H19N3O2 — CID 96679890

IUPAC(7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone
SMILESCOc1ccc(C)c2c(C(=O)N3CCNCC3)c[nH]c12
InChIInChI=1S/C15H19N3O2/c1-10-3-4-12(20-2)14-13(10)11(9-17-14)15(19)18-7-5-16-6-8-18/h3-4,9,16-17H,5-8H2,1-2H3
InChIKeyQIMGCEBMRJDUQU-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.53
Rot. Bonds2

About (7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone

(7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone (PubChem CID 96679890) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone
PubChem CID96679890
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone
SMILESCOc1ccc(C)c2c(C(=O)N3CCNCC3)c[nH]c12
InChIInChI=1S/C15H19N3O2/c1-10-3-4-12(20-2)14-13(10)11(9-17-14)15(19)18-7-5-16-6-8-18/h3-4,9,16-17H,5-8H2,1-2H3
InChIKeyQIMGCEBMRJDUQU-UHFFFAOYSA-N
XLogP1.53
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone
CID 82131195
CID 89114397
CID 89114397
1,4-diazepan-1-yl-(2-methoxy-5-methylphenyl)methanone
CID 62504199
1-(7-bromo-4-methoxy-1H-indol-3-yl)-2-piperazin-1-ylethane-1,2-dione
CID 70934773
(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119401629
1,4-diazepan-1-yl-(2,5-dimethoxy-4-methylphenyl)methanone
CID 95482231
(2-methoxy-4-methyl-5-methylsulfanylphenyl)-piperazin-1-ylmethanone
CID 177216779
1,4-diazepan-1-yl-(2-methoxy-4-methylphenyl)methanone
CID 110833035
(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 131160128
8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one
CID 162540366
(3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403756
(2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone
CID 82814419

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone (CID 96679890) is (7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone is COc1ccc(C)c2c(C(=O)N3CCNCC3)c[nH]c12.
What is the InChIKey of (7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone?
The InChIKey is QIMGCEBMRJDUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-3-4-12(20-2)14-13(10)11(9-17-14)15(19)18-7-5-16-6-8-18/h3-4,9,16-17H,5-8H2,1-2H3.
What are the key properties of (7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone?
(7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone has a molecular weight of 273.34 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 96679890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).