2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione

C23H24N2O4 — CID 110397075

IUPAC2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
SMILESCc1ccc(OC2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1
InChIInChI=1S/C23H24N2O4/c1-16-6-8-17(9-7-16)29-18-10-13-24(14-11-18)21(26)12-15-25-22(27)19-4-2-3-5-20(19)23(25)28/h2-9,18H,10-15H2,1H3
InChIKeyAMWMGKMOLHLHJF-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.05
Rot. Bonds5

About 2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione

2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione (PubChem CID 110397075) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
PubChem CID110397075
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
SMILESCc1ccc(OC2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1
InChIInChI=1S/C23H24N2O4/c1-16-6-8-17(9-7-16)29-18-10-13-24(14-11-18)21(26)12-15-25-22(27)19-4-2-3-5-20(19)23(25)28/h2-9,18H,10-15H2,1H3
InChIKeyAMWMGKMOLHLHJF-UHFFFAOYSA-N
XLogP3.05
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxypiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 110725297
3-(2-aminophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 120609194
4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119292107
2-[4-oxo-4-(4-pyrimidin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione
CID 90558819
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556376
1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one
CID 72883560
2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 51323644
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 108564737
2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione
CID 108754184
(3S)-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-methylsulfanylbutan-1-one
CID 124569340
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]butanamide
CID 108564718

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione (CID 110397075) is 2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione is Cc1ccc(OC2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1.
What is the InChIKey of 2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione?
The InChIKey is AMWMGKMOLHLHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-16-6-8-17(9-7-16)29-18-10-13-24(14-11-18)21(26)12-15-25-22(27)19-4-2-3-5-20(19)23(25)28/h2-9,18H,10-15H2,1H3.
What are the key properties of 2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione?
2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione has a molecular weight of 392.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione is sourced from PubChem (CID 110397075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).