methyl N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]carbamate

C24H25N3O5 — CID 108564528

IUPACmethyl N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C24H25N3O5/c1-32-24(31)25-17-11-13-26(14-12-17)23(30)20(15-16-7-3-2-4-8-16)27-21(28)18-9-5-6-10-19(18)22(27)29/h2-10,17,20H,11-15H2,1H3,(H,25,31)
InChIKeyOOLKKGMMGBIMFT-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.24
Rot. Bonds5

About methyl N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]carbamate

methyl N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]carbamate (PubChem CID 108564528) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is methyl N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]carbamate
PubChem CID108564528
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Namemethyl N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C24H25N3O5/c1-32-24(31)25-17-11-13-26(14-12-17)23(30)20(15-16-7-3-2-4-8-16)27-21(28)18-9-5-6-10-19(18)22(27)29/h2-10,17,20H,11-15H2,1H3,(H,25,31)
InChIKeyOOLKKGMMGBIMFT-UHFFFAOYSA-N
XLogP2.24
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]propanamide
CID 108556080
benzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate
CID 108564521
2-[(2S)-1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
CID 1167505
2-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
CID 2856106
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide
CID 108932962
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 5024298
2-[(2S)-1-oxo-3-phenyl-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-yl]isoindole-1,3-dione
CID 1325847
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 3890991
2-[(2R)-1-[13-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
CID 99655465
2-[1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
CID 3560360
2-[(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
CID 1167514
methyl 4-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]-2,3-dihydro-1,4-oxazine-3-carboxylate
CID 131717896

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]carbamate (CID 108564528) is methyl N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]carbamate is COC(=O)NC1CCN(C(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of methyl N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]carbamate?
The InChIKey is OOLKKGMMGBIMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-32-24(31)25-17-11-13-26(14-12-17)23(30)20(15-16-7-3-2-4-8-16)27-21(28)18-9-5-6-10-19(18)22(27)29/h2-10,17,20H,11-15H2,1H3,(H,25,31).
What are the key properties of methyl N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]carbamate?
methyl N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]carbamate has a molecular weight of 435.48 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 108564528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).