methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate

C17H18N2O5 — CID 717639

IUPACmethyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C17H18N2O5/c1-24-17(23)11-6-8-18(9-7-11)14(20)10-19-15(21)12-4-2-3-5-13(12)16(19)22/h2-5,11H,6-10H2,1H3
InChIKeyNOJVUMXNOLXHBW-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.69
Rot. Bonds3

About methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate

methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate (PubChem CID 717639) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate
PubChem CID717639
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Namemethyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C17H18N2O5/c1-24-17(23)11-6-8-18(9-7-11)14(20)10-19-15(21)12-4-2-3-5-13(12)16(19)22/h2-5,11H,6-10H2,1H3
InChIKeyNOJVUMXNOLXHBW-UHFFFAOYSA-N
XLogP0.69
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.69
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

2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119562529
2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2738645
2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110749728
2-[2-[4-(azepan-1-yl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110667092
2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178372
2-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119519454
2-[2-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 108546025
2-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 108551996
2-[2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dioxoisoindole
CID 108564651
methyl 1-[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]piperidine-4-carboxylate
CID 3903323
2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 121197508
methyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate
CID 7609865

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate (CID 717639) is methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is NOJVUMXNOLXHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-24-17(23)11-6-8-18(9-7-11)14(20)10-19-15(21)12-4-2-3-5-13(12)16(19)22/h2-5,11H,6-10H2,1H3.
What are the key properties of methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate?
methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 717639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).