1-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C19H22F3N3O3 — CID 35169844

IUPAC1-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C19H22F3N3O3/c20-19(21,22)12-23-16(26)13-6-10-24(11-7-13)8-3-9-25-17(27)14-4-1-2-5-15(14)18(25)28/h1-2,4-5,13H,3,6-12H2,(H,23,26)
InChIKeyUJZSHAYHEKGZFO-UHFFFAOYSA-N
MW397.40 g/mol
LogP2.06
Rot. Bonds6

About 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 35169844) has the molecular formula C19H22F3N3O3 and a molecular weight of 397.40 g/mol. Its IUPAC name is 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID35169844
Molecular FormulaC19H22F3N3O3
Molecular Weight397.40 g/mol
Exact Mass397.16
IUPAC Name1-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C19H22F3N3O3/c20-19(21,22)12-23-16(26)13-6-10-24(11-7-13)8-3-9-25-17(27)14-4-1-2-5-15(14)18(25)28/h1-2,4-5,13H,3,6-12H2,(H,23,26)
InChIKeyUJZSHAYHEKGZFO-UHFFFAOYSA-N
XLogP2.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.06
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

1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364092
2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 16609140
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione
CID 175208589
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide
CID 39903901
2-[3-(4-acetylpiperazin-1-yl)propyl]isoindole-1,3-dione
CID 29230770
2-[4-[3-(hydroxymethyl)pyrrolidin-1-yl]butyl]isoindole-1,3-dione
CID 111442706
4-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-ethylpiperazine-1-carboxamide
CID 86912387
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]cyclohexanecarboxamide
CID 108538961
2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione
CID 103734065
2-(8-bromooctyl)isoindole-1,3-dione;2-(8-piperidin-1-yloctyl)isoindole-1,3-dione
CID 19933508
2-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 20718041

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 35169844) is 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(NCC(F)(F)F)C1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is UJZSHAYHEKGZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3/c20-19(21,22)12-23-16(26)13-6-10-24(11-7-13)8-3-9-25-17(27)14-4-1-2-5-15(14)18(25)28/h1-2,4-5,13H,3,6-12H2,(H,23,26).
What are the key properties of 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 397.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 35169844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).