2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone

C22H32N4O2 — CID 136521359

IUPAC2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCOc1cccc2[nH]cc(CC(=O)N3CCN(CC4CCCCN4C)CC3)c12
InChIInChI=1S/C22H32N4O2/c1-24-9-4-3-6-18(24)16-25-10-12-26(13-11-25)21(27)14-17-15-23-19-7-5-8-20(28-2)22(17)19/h5,7-8,15,18,23H,3-4,6,9-14,16H2,1-2H3
InChIKeyQSVMSKVPDHFKGV-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.35
Rot. Bonds5

About 2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone

2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 136521359) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone
PubChem CID136521359
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCOc1cccc2[nH]cc(CC(=O)N3CCN(CC4CCCCN4C)CC3)c12
InChIInChI=1S/C22H32N4O2/c1-24-9-4-3-6-18(24)16-25-10-12-26(13-11-25)21(27)14-17-15-23-19-7-5-8-20(28-2)22(17)19/h5,7-8,15,18,23H,3-4,6,9-14,16H2,1-2H3
InChIKeyQSVMSKVPDHFKGV-UHFFFAOYSA-N
XLogP2.35
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone
CID 95293833
4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 170305481
2-(2,5-dimethoxyphenyl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone
CID 136524308
6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514837
1-[(2,3-dimethoxyphenyl)methyl]-4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazine
CID 97159129
[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-4-yl] N-[2-[[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-4-yl]oxycarbonylamino]ethyl]carbamate
CID 170760007
(3R,4R)-4-cyclopropyl-1-[2-(4-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120979977
1-O-(3-methyl-1H-indol-4-yl) 4-O-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-4-yl] butanedioate
CID 170760018
1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 56783112
3-fluoro-1-[2-(4-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120529779
(6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid
CID 120536282
2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone
CID 136586906

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone (CID 136521359) is 2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone is COc1cccc2[nH]cc(CC(=O)N3CCN(CC4CCCCN4C)CC3)c12.
What is the InChIKey of 2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is QSVMSKVPDHFKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-24-9-4-3-6-18(24)16-25-10-12-26(13-11-25)21(27)14-17-15-23-19-7-5-8-20(28-2)22(17)19/h5,7-8,15,18,23H,3-4,6,9-14,16H2,1-2H3.
What are the key properties of 2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone?
2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 384.52 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 136521359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).