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

C24H22F3N3O4 — CID 108932962

IUPAC2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide
SMILESO=C(NC1CCN(C(=O)C(F)(F)F)CC1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H22F3N3O4/c25-24(26,27)23(34)29-12-10-16(11-13-29)28-20(31)19(14-15-6-2-1-3-7-15)30-21(32)17-8-4-5-9-18(17)22(30)33/h1-9,16,19H,10-14H2,(H,28,31)
InChIKeyUXGJBGDKYXNBOI-UHFFFAOYSA-N
MW473.45 g/mol
LogP2.56
Rot. Bonds5

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

2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide (PubChem CID 108932962) has the molecular formula C24H22F3N3O4 and a molecular weight of 473.45 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide
PubChem CID108932962
Molecular FormulaC24H22F3N3O4
Molecular Weight473.45 g/mol
Exact Mass473.16
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide
SMILESO=C(NC1CCN(C(=O)C(F)(F)F)CC1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H22F3N3O4/c25-24(26,27)23(34)29-12-10-16(11-13-29)28-20(31)19(14-15-6-2-1-3-7-15)30-21(32)17-8-4-5-9-18(17)22(30)33/h1-9,16,19H,10-14H2,(H,28,31)
InChIKeyUXGJBGDKYXNBOI-UHFFFAOYSA-N
XLogP2.56
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 52.56
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

N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 5024298
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 3890991
N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]propanamide
CID 108556080
methyl N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]carbamate
CID 108564528
2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide
CID 2920603
(2S)-N-(1-acetylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 39966068
(2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2666747
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8927721
(2R)-N-[(S)-cyclopentyl(phenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 1325904
N-(2-aminoethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19739690
2-[(2S)-1-oxo-3-phenyl-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-yl]isoindole-1,3-dione
CID 1325847
[2-(cycloheptylamino)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 55925995

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide (CID 108932962) is 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide is O=C(NC1CCN(C(=O)C(F)(F)F)CC1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide?
The InChIKey is UXGJBGDKYXNBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O4/c25-24(26,27)23(34)29-12-10-16(11-13-29)28-20(31)19(14-15-6-2-1-3-7-15)30-21(32)17-8-4-5-9-18(17)22(30)33/h1-9,16,19H,10-14H2,(H,28,31).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide?
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide has a molecular weight of 473.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108932962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).