3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one

C22H25N3O2 — CID 167811788

IUPAC3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
SMILESCC1CN(Cc2ccccc2)CCN1C(=O)CC1C(=O)Nc2ccccc21
InChIInChI=1S/C22H25N3O2/c1-16-14-24(15-17-7-3-2-4-8-17)11-12-25(16)21(26)13-19-18-9-5-6-10-20(18)23-22(19)27/h2-10,16,19H,11-15H2,1H3,(H,23,27)
InChIKeyPAEMCPSEQSMSIS-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.85
Rot. Bonds4

About 3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one

3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one (PubChem CID 167811788) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
PubChem CID167811788
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
SMILESCC1CN(Cc2ccccc2)CCN1C(=O)CC1C(=O)Nc2ccccc21
InChIInChI=1S/C22H25N3O2/c1-16-14-24(15-17-7-3-2-4-8-17)11-12-25(16)21(26)13-19-18-9-5-6-10-20(18)23-22(19)27/h2-10,16,19H,11-15H2,1H3,(H,23,27)
InChIKeyPAEMCPSEQSMSIS-UHFFFAOYSA-N
XLogP2.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110694625
1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone
CID 119886406
3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110694649
3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110694583
(4-benzyl-2-methylpiperazin-1-yl)-phenylmethanone
CID 10708948
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222
3-amino-1-(4-benzyl-2-methylpiperazin-1-yl)butan-1-one
CID 119884612
(3S)-3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 97191684
1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one
CID 78042643
(3aR,9bR)-2-benzyl-3,3a,5,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one
CID 124803001
(4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 169115361
6-[(2R)-4-benzyl-2-methylpiperazine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 136580423

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one (CID 167811788) is 3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one is CC1CN(Cc2ccccc2)CCN1C(=O)CC1C(=O)Nc2ccccc21.
What is the InChIKey of 3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one?
The InChIKey is PAEMCPSEQSMSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-14-24(15-17-7-3-2-4-8-17)11-12-25(16)21(26)13-19-18-9-5-6-10-20(18)23-22(19)27/h2-10,16,19H,11-15H2,1H3,(H,23,27).
What are the key properties of 3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one?
3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one has a molecular weight of 363.46 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 167811788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).