2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

C28H35ClN4O3 — CID 70639828

IUPAC2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccccc1C1CCN(C(=O)C2CN(CC(=O)N3CCN(C)CC3)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C28H35ClN4O3/c1-30-13-15-31(16-14-30)27(34)19-33-18-24(23-8-7-21(29)17-25(23)33)28(35)32-11-9-20(10-12-32)22-5-3-4-6-26(22)36-2/h3-8,17,20,24H,9-16,18-19H2,1-2H3
InChIKeyAFFYAVJAXHWGPA-UHFFFAOYSA-N
MW511.07 g/mol
LogP3.43
Rot. Bonds5

About 2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 70639828) has the molecular formula C28H35ClN4O3 and a molecular weight of 511.07 g/mol. Its IUPAC name is 2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID70639828
Molecular FormulaC28H35ClN4O3
Molecular Weight511.07 g/mol
Exact Mass510.24
IUPAC Name2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccccc1C1CCN(C(=O)C2CN(CC(=O)N3CCN(C)CC3)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C28H35ClN4O3/c1-30-13-15-31(16-14-30)27(34)19-33-18-24(23-8-7-21(29)17-25(23)33)28(35)32-11-9-20(10-12-32)22-5-3-4-6-26(22)36-2/h3-8,17,20,24H,9-16,18-19H2,1-2H3
InChIKeyAFFYAVJAXHWGPA-UHFFFAOYSA-N
XLogP3.43
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.07
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-piperazin-1-ylethanone
CID 70639787
2-[6-chloro-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide
CID 70639791
[1-(2-aminoethyl)-6-chloro-2,3-dihydroindol-3-yl]-[4-(2,3-dihydro-1-benzofuran-7-yl)piperidin-1-yl]methanone
CID 70639731
N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293180
7-chloro-5-(2-methoxyphenyl)-1-(2-methylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)-4,5-dihydro-1H-3-benzazepin-2-one
CID 59025513
2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 125011182
[4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone
CID 97188979
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperidin-1-yl]ethanone
CID 91786322
(2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 110015914
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 23763777
4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 23039534

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 70639828) is 2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is COc1ccccc1C1CCN(C(=O)C2CN(CC(=O)N3CCN(C)CC3)c3cc(Cl)ccc32)CC1.
What is the InChIKey of 2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is AFFYAVJAXHWGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN4O3/c1-30-13-15-31(16-14-30)27(34)19-33-18-24(23-8-7-21(29)17-25(23)33)28(35)32-11-9-20(10-12-32)22-5-3-4-6-26(22)36-2/h3-8,17,20,24H,9-16,18-19H2,1-2H3.
What are the key properties of 2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 511.07 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 70639828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).