[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate

C18H22N2O4 — CID 175267602

IUPAC[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C18H22N2O4/c1-18(2,3)17(23)24-19-10-8-12(9-11-19)20-15(21)13-6-4-5-7-14(13)16(20)22/h4-7,12H,8-11H2,1-3H3
InChIKeyPHCOETVKSZAITH-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.25
Rot. Bonds2

About [4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate

[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 175267602) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is [4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID175267602
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C18H22N2O4/c1-18(2,3)17(23)24-19-10-8-12(9-11-19)20-15(21)13-6-4-5-7-14(13)16(20)22/h4-7,12H,8-11H2,1-3H3
InChIKeyPHCOETVKSZAITH-UHFFFAOYSA-N
XLogP2.25
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[3-(1,3-dioxoisoindol-2-yl)azetidin-1-yl]piperidine-1-carboxylate
CID 166030831
ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 90979720
tert-butyl 3-(1,3-dioxoisoindol-2-yl)cyclobutane-1-carboxylate
CID 71304764
tert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane
CID 143006218
[4-(5,6,8,9-tetraoxo-1,4-dihydropyrrolo[3,4-g]quinoxalin-7-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174502315
2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione
CID 113082500
2-[1-(2-methylbenzoyl)piperidin-4-yl]isoindole-1,3-dione
CID 113082504
2-cyclodecylisoindole-1,3-dione
CID 123786237
2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione
CID 113082746
[4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174977791
[4-(naphthalen-1-ylmethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174776993
cis-(1R,3S)-3-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxylic acid
CID 54550801

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 175267602) is [4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(N2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of [4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is PHCOETVKSZAITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-18(2,3)17(23)24-19-10-8-12(9-11-19)20-15(21)13-6-4-5-7-14(13)16(20)22/h4-7,12H,8-11H2,1-3H3.
What are the key properties of [4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 330.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 175267602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).