1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one

C16H21N3O — CID 95474523

IUPAC1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)CCN1CCNCC1
InChIInChI=1S/C16H21N3O/c1-12-16(13-4-2-3-5-14(13)18-12)15(20)6-9-19-10-7-17-8-11-19/h2-5,17-18H,6-11H2,1H3
InChIKeyQMAGCWSNORYUOR-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.95
Rot. Bonds4

About 1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one

1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one (PubChem CID 95474523) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
PubChem CID95474523
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)CCN1CCNCC1
InChIInChI=1S/C16H21N3O/c1-12-16(13-4-2-3-5-14(13)18-12)15(20)6-9-19-10-7-17-8-11-19/h2-5,17-18H,6-11H2,1H3
InChIKeyQMAGCWSNORYUOR-UHFFFAOYSA-N
XLogP1.95
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 947076
2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82279050
1-(2-hydroxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82263022
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanone
CID 718235
1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
CID 659447
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one
CID 116915904
1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819513
2-methyl-1-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 18086237
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 15577659

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one (CID 95474523) is 1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one is Cc1[nH]c2ccccc2c1C(=O)CCN1CCNCC1.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is QMAGCWSNORYUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-16(13-4-2-3-5-14(13)18-12)15(20)6-9-19-10-7-17-8-11-19/h2-5,17-18H,6-11H2,1H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one?
1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 271.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 95474523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).