N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide

C19H20F3N3O4 — CID 108548744

IUPACN-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C19H20F3N3O4/c20-19(21,22)18(29)23-12-7-10-24(11-8-12)15(26)6-3-9-25-16(27)13-4-1-2-5-14(13)17(25)28/h1-2,4-5,12H,3,6-11H2,(H,23,29)
InChIKeyAVESVKZKRBYPBJ-UHFFFAOYSA-N
MW411.38 g/mol
LogP1.73
Rot. Bonds5

About N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide

N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide (PubChem CID 108548744) has the molecular formula C19H20F3N3O4 and a molecular weight of 411.38 g/mol. Its IUPAC name is N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
PubChem CID108548744
Molecular FormulaC19H20F3N3O4
Molecular Weight411.38 g/mol
Exact Mass411.14
IUPAC NameN-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C19H20F3N3O4/c20-19(21,22)18(29)23-12-7-10-24(11-8-12)15(26)6-3-9-25-16(27)13-4-1-2-5-14(13)17(25)28/h1-2,4-5,12H,3,6-11H2,(H,23,29)
InChIKeyAVESVKZKRBYPBJ-UHFFFAOYSA-N
XLogP1.73
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 51.73
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-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide
CID 108558510
1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364092
N-[1-(3-chloropropanoyl)piperidin-4-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108562077
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]butane-1-sulfonamide
CID 108566307
2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108548737
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide
CID 108555965
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-3-methoxybenzamide
CID 108550367
2-[4-(4-methoxypiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 110725297
2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione
CID 802386
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]butanamide
CID 108564718
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108932983
2-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 134020573

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide (CID 108548744) is N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide is O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide?
The InChIKey is AVESVKZKRBYPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O4/c20-19(21,22)18(29)23-12-7-10-24(11-8-12)15(26)6-3-9-25-16(27)13-4-1-2-5-14(13)17(25)28/h1-2,4-5,12H,3,6-11H2,(H,23,29).
What are the key properties of N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide?
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide has a molecular weight of 411.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 108548744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).