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

C25H27N3O4 — CID 108556080

IUPACN-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C25H27N3O4/c1-2-22(29)26-18-12-14-27(15-13-18)25(32)21(16-17-8-4-3-5-9-17)28-23(30)19-10-6-7-11-20(19)24(28)31/h3-11,18,21H,2,12-16H2,1H3,(H,26,29)
InChIKeyCGXULLZCZAZEIC-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.41
Rot. Bonds6

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

N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]propanamide (PubChem CID 108556080) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]propanamide
PubChem CID108556080
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C25H27N3O4/c1-2-22(29)26-18-12-14-27(15-13-18)25(32)21(16-17-8-4-3-5-9-17)28-23(30)19-10-6-7-11-20(19)24(28)31/h3-11,18,21H,2,12-16H2,1H3,(H,26,29)
InChIKeyCGXULLZCZAZEIC-UHFFFAOYSA-N
XLogP2.41
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]carbamate
CID 108564528
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
benzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate
CID 108564521
[2-(cycloheptylamino)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 55925995
N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 110820721

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]propanamide (CID 108556080) is N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]propanamide is CCC(=O)NC1CCN(C(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]propanamide?
The InChIKey is CGXULLZCZAZEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-2-22(29)26-18-12-14-27(15-13-18)25(32)21(16-17-8-4-3-5-9-17)28-23(30)19-10-6-7-11-20(19)24(28)31/h3-11,18,21H,2,12-16H2,1H3,(H,26,29).
What are the key properties of N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]propanamide?
N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]propanamide has a molecular weight of 433.51 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 108556080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).