[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate

C28H32N2O5 — CID 4636938

IUPAC[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
SMILESCC(C)CC(C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C28H32N2O5/c1-19(2)16-24(30-26(32)22-10-6-7-11-23(22)27(30)33)28(34)35-18-25(31)29-14-12-21(13-15-29)17-20-8-4-3-5-9-20/h3-11,19,21,24H,12-18H2,1-2H3
InChIKeyCSQVHLMOEUDEAX-UHFFFAOYSA-N
MW476.57 g/mol
LogP3.72
Rot. Bonds8

About [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate

[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate (PubChem CID 4636938) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate.

Molecular Properties

Compound Name[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
PubChem CID4636938
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC Name[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
SMILESCC(C)CC(C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C28H32N2O5/c1-19(2)16-24(30-26(32)22-10-6-7-11-23(22)27(30)33)28(34)35-18-25(31)29-14-12-21(13-15-29)17-20-8-4-3-5-9-20/h3-11,19,21,24H,12-18H2,1-2H3
InChIKeyCSQVHLMOEUDEAX-UHFFFAOYSA-N
XLogP3.72
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate 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

2-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione
CID 118729481
ethyl 1-[2-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]oxyacetyl]piperidine-4-carboxylate
CID 46789881
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 55935212
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 4648818
(2-amino-2-oxoethyl) (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 7951869
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 46789888
phenacyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 7784391
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 9408620
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethylbenzoate
CID 2338180
[2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 4517473
(2S)-N-(1-acetylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 39966068
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23827029

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate?
The IUPAC name of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate (CID 4636938) is [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate.
What is the SMILES notation for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate?
The canonical SMILES for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate is CC(C)CC(C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate?
The InChIKey is CSQVHLMOEUDEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O5/c1-19(2)16-24(30-26(32)22-10-6-7-11-23(22)27(30)33)28(34)35-18-25(31)29-14-12-21(13-15-29)17-20-8-4-3-5-9-20/h3-11,19,21,24H,12-18H2,1-2H3.
What are the key properties of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate?
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate has a molecular weight of 476.57 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate is sourced from PubChem (CID 4636938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).