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

C23H24N2O4 — CID 110638923

IUPAC2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESCc1cccc(OCC2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)c1
InChIInChI=1S/C23H24N2O4/c1-16-5-4-6-18(13-16)29-15-17-9-11-24(12-10-17)21(26)14-25-22(27)19-7-2-3-8-20(19)23(25)28/h2-8,13,17H,9-12,14-15H2,1H3
InChIKeyYCNYZIDXZQOSTP-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.91
Rot. Bonds5

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

2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione (PubChem CID 110638923) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
PubChem CID110638923
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESCc1cccc(OCC2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)c1
InChIInChI=1S/C23H24N2O4/c1-16-5-4-6-18(13-16)29-15-17-9-11-24(12-10-17)21(26)14-25-22(27)19-7-2-3-8-20(19)23(25)28/h2-8,13,17H,9-12,14-15H2,1H3
InChIKeyYCNYZIDXZQOSTP-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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

methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638931
2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178372
2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119562529
2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 121197508
4-[(3-methylphenoxy)methyl]-N-propylpiperidine-1-carboxamide
CID 110638938
2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-methylisoindole-1,3-dione
CID 119374064
methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate
CID 717639
2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110749728
1-[4-(bromomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 80678009
2-[1-[5-(3-methylphenoxy)pentanoyl]piperidin-4-yl]acetic acid
CID 119178022
2-(1,3-dioxoisoindol-2-yl)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551994
2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 100667514

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione (CID 110638923) is 2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione is Cc1cccc(OCC2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)c1.
What is the InChIKey of 2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is YCNYZIDXZQOSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-16-5-4-6-18(13-16)29-15-17-9-11-24(12-10-17)21(26)14-25-22(27)19-7-2-3-8-20(19)23(25)28/h2-8,13,17H,9-12,14-15H2,1H3.
What are the key properties of 2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 392.46 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 110638923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).