6-methylidene-3-[3-methylidene-7-[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]-1H-isoindol-2-yl]piperidin-2-one

C24H32N4O3 — CID 171792875

IUPAC6-methylidene-3-[3-methylidene-7-[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]-1H-isoindol-2-yl]piperidin-2-one
SMILESC=C1CCC(N2Cc3c(OCC(=O)N4CCN(CCC)CC4)cccc3C2=C)C(=O)N1
InChIInChI=1S/C24H32N4O3/c1-4-10-26-11-13-27(14-12-26)23(29)16-31-22-7-5-6-19-18(3)28(15-20(19)22)21-9-8-17(2)25-24(21)30/h5-7,21H,2-4,8-16H2,1H3,(H,25,30)
InChIKeyFCQIOCOBPLXJMD-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.20
Rot. Bonds6

About 6-methylidene-3-[3-methylidene-7-[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]-1H-isoindol-2-yl]piperidin-2-one

6-methylidene-3-[3-methylidene-7-[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]-1H-isoindol-2-yl]piperidin-2-one (PubChem CID 171792875) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 6-methylidene-3-[3-methylidene-7-[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]-1H-isoindol-2-yl]piperidin-2-one.

Molecular Properties

Compound Name6-methylidene-3-[3-methylidene-7-[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]-1H-isoindol-2-yl]piperidin-2-one
PubChem CID171792875
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name6-methylidene-3-[3-methylidene-7-[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]-1H-isoindol-2-yl]piperidin-2-one
SMILESC=C1CCC(N2Cc3c(OCC(=O)N4CCN(CCC)CC4)cccc3C2=C)C(=O)N1
InChIInChI=1S/C24H32N4O3/c1-4-10-26-11-13-27(14-12-26)23(29)16-31-22-7-5-6-19-18(3)28(15-20(19)22)21-9-8-17(2)25-24(21)30/h5-7,21H,2-4,8-16H2,1H3,(H,25,30)
InChIKeyFCQIOCOBPLXJMD-UHFFFAOYSA-N
XLogP2.20
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methylidene-3-[3-methylidene-7-[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]-1H-isoindol-2-yl]piperidin-2-one 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

butane;ethane;2-methylbut-1-ene;3-[3-methylidene-7-[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171792836
4-[[4-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 118118537
2-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methoxy]-3H-isoindol-1-one
CID 170035265
4-[(2-chlorophenyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 118118498
2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one
CID 118118342
4-[[4-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 118118572
4-[(Z)-2-(butan-2-ylideneamino)-3-(3-chloro-4-methylanilino)prop-2-enoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 166794920
2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one
CID 118118366
2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one
CID 118118591
3-[7-[2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166426611
2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one
CID 118118461
4-[[4-[(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 118118469

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-3-[3-methylidene-7-[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]-1H-isoindol-2-yl]piperidin-2-one?
The IUPAC name of 6-methylidene-3-[3-methylidene-7-[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]-1H-isoindol-2-yl]piperidin-2-one (CID 171792875) is 6-methylidene-3-[3-methylidene-7-[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]-1H-isoindol-2-yl]piperidin-2-one.
What is the SMILES notation for 6-methylidene-3-[3-methylidene-7-[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]-1H-isoindol-2-yl]piperidin-2-one?
The canonical SMILES for 6-methylidene-3-[3-methylidene-7-[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]-1H-isoindol-2-yl]piperidin-2-one is C=C1CCC(N2Cc3c(OCC(=O)N4CCN(CCC)CC4)cccc3C2=C)C(=O)N1.
What is the InChIKey of 6-methylidene-3-[3-methylidene-7-[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]-1H-isoindol-2-yl]piperidin-2-one?
The InChIKey is FCQIOCOBPLXJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-4-10-26-11-13-27(14-12-26)23(29)16-31-22-7-5-6-19-18(3)28(15-20(19)22)21-9-8-17(2)25-24(21)30/h5-7,21H,2-4,8-16H2,1H3,(H,25,30).
What are the key properties of 6-methylidene-3-[3-methylidene-7-[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]-1H-isoindol-2-yl]piperidin-2-one?
6-methylidene-3-[3-methylidene-7-[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]-1H-isoindol-2-yl]piperidin-2-one has a molecular weight of 424.55 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-3-[3-methylidene-7-[2-oxo-2-(4-propylpiperazin-1-yl)ethoxy]-1H-isoindol-2-yl]piperidin-2-one is sourced from PubChem (CID 171792875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).