1-(5-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone

C16H21N3O — CID 3646506

IUPAC1-(5-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCc1ccc2[nH]cc(C(=O)CN3CCN(C)CC3)c2c1
InChIInChI=1S/C16H21N3O/c1-12-3-4-15-13(9-12)14(10-17-15)16(20)11-19-7-5-18(2)6-8-19/h3-4,9-10,17H,5-8,11H2,1-2H3
InChIKeyKRSHFYCMQPNQHM-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.91
Rot. Bonds3

About 1-(5-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone

1-(5-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 3646506) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(5-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID3646506
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(5-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCc1ccc2[nH]cc(C(=O)CN3CCN(C)CC3)c2c1
InChIInChI=1S/C16H21N3O/c1-12-3-4-15-13(9-12)14(10-17-15)16(20)11-19-7-5-18(2)6-8-19/h3-4,9-10,17H,5-8,11H2,1-2H3
InChIKeyKRSHFYCMQPNQHM-UHFFFAOYSA-N
XLogP1.91
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Jwh 018
CID 10382701
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CID 10256
Indoramin
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(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
AM-1220, (+-)-
CID 9929889
1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole
CID 10226340
Indole-5-carboxamide
CID 14973220
FG-7142
CID 4375
CP-409092
CID 9839190
Indoramin hydrochloride
CID 38102
3-Acetylindole
CID 12802

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(5-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone (CID 3646506) is 1-(5-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(5-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone is Cc1ccc2[nH]cc(C(=O)CN3CCN(C)CC3)c2c1.
What is the InChIKey of 1-(5-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is KRSHFYCMQPNQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-3-4-15-13(9-12)14(10-17-15)16(20)11-19-7-5-18(2)6-8-19/h3-4,9-10,17H,5-8,11H2,1-2H3.
What are the key properties of 1-(5-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(5-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 271.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 3646506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).