3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride

C22H26ClN3O2 — CID 154892331

IUPAC3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride
SMILESCN1C(=O)C(CC(=O)N2CCNCC2)(Cc2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C22H25N3O2.ClH/c1-24-19-10-6-5-9-18(19)22(21(24)27,15-17-7-3-2-4-8-17)16-20(26)25-13-11-23-12-14-25;/h2-10,23H,11-16H2,1H3;1H
InChIKeyMJHFBANZMASQCJ-UHFFFAOYSA-N
MW399.92 g/mol
LogP2.39
Rot. Bonds4

About 3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride

3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride (PubChem CID 154892331) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride.

Molecular Properties

Compound Name3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride
PubChem CID154892331
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride
SMILESCN1C(=O)C(CC(=O)N2CCNCC2)(Cc2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C22H25N3O2.ClH/c1-24-19-10-6-5-9-18(19)22(21(24)27,15-17-7-3-2-4-8-17)16-20(26)25-13-11-23-12-14-25;/h2-10,23H,11-16H2,1H3;1H
InChIKeyMJHFBANZMASQCJ-UHFFFAOYSA-N
XLogP2.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 56878785
(3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one
CID 95402504
(3S)-3-benzyl-3-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-1-methylindol-2-one
CID 95557356
3-benzyl-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 56866029
(3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 95445255
(3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one
CID 95502874
1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile
CID 95525386
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide
CID 95400748
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
(3R)-3-benzyl-1-methyl-3-[3-(1,4-oxazepan-4-yl)-3-oxopropyl]indol-2-one
CID 95528086
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide
CID 95555970
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide
CID 95550196

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride?
The IUPAC name of 3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride (CID 154892331) is 3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride.
What is the SMILES notation for 3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride?
The canonical SMILES for 3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride is CN1C(=O)C(CC(=O)N2CCNCC2)(Cc2ccccc2)c2ccccc21.Cl.
What is the InChIKey of 3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride?
The InChIKey is MJHFBANZMASQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2.ClH/c1-24-19-10-6-5-9-18(19)22(21(24)27,15-17-7-3-2-4-8-17)16-20(26)25-13-11-23-12-14-25;/h2-10,23H,11-16H2,1H3;1H.
What are the key properties of 3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride?
3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride has a molecular weight of 399.92 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride is sourced from PubChem (CID 154892331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).