2,2,2-trifluoroethyl 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]piperidine-1-carboxylate

C22H21F3N2O5 — CID 46680459

IUPAC2,2,2-trifluoroethyl 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]piperidine-1-carboxylate
SMILESCOc1cc2c(cc1NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)oc1ccccc12
InChIInChI=1S/C22H21F3N2O5/c1-30-19-10-15-14-4-2-3-5-17(14)32-18(15)11-16(19)26-20(28)13-6-8-27(9-7-13)21(29)31-12-22(23,24)25/h2-5,10-11,13H,6-9,12H2,1H3,(H,26,28)
InChIKeyKZZQNZSAJXYELY-UHFFFAOYSA-N
MW450.41 g/mol
LogP4.94
Rot. Bonds4

About 2,2,2-trifluoroethyl 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]piperidine-1-carboxylate

2,2,2-trifluoroethyl 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 46680459) has the molecular formula C22H21F3N2O5 and a molecular weight of 450.41 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID46680459
Molecular FormulaC22H21F3N2O5
Molecular Weight450.41 g/mol
Exact Mass450.14
IUPAC Name2,2,2-trifluoroethyl 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]piperidine-1-carboxylate
SMILESCOc1cc2c(cc1NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)oc1ccccc12
InChIInChI=1S/C22H21F3N2O5/c1-30-19-10-15-14-4-2-3-5-17(14)32-18(15)11-16(19)26-20(28)13-6-8-27(9-7-13)21(29)31-12-22(23,24)25/h2-5,10-11,13H,6-9,12H2,1H3,(H,26,28)
InChIKeyKZZQNZSAJXYELY-UHFFFAOYSA-N
XLogP4.94
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.41
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-4-carboxamide
CID 26413483
N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 55488412
tert-butyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 52775307
1-(2-fluorophenyl)sulfonyl-N-(2-methoxydibenzofuran-3-yl)piperidine-4-carboxamide
CID 26413454
2,2,2-trifluoroethyl 4-[(2-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 46680523
N-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide
CID 119037539
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
N-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404064
(3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide
CID 2111778
2,2,2-trifluoroethyl 4-[(2,4-dimethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 32812975
2-hydroxy-N-(2-methoxydibenzofuran-3-yl)cyclopentane-1-carboxamide
CID 110013791

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]piperidine-1-carboxylate (CID 46680459) is 2,2,2-trifluoroethyl 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]piperidine-1-carboxylate is COc1cc2c(cc1NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)oc1ccccc12.
What is the InChIKey of 2,2,2-trifluoroethyl 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is KZZQNZSAJXYELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O5/c1-30-19-10-15-14-4-2-3-5-17(14)32-18(15)11-16(19)26-20(28)13-6-8-27(9-7-13)21(29)31-12-22(23,24)25/h2-5,10-11,13H,6-9,12H2,1H3,(H,26,28).
What are the key properties of 2,2,2-trifluoroethyl 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]piperidine-1-carboxylate?
2,2,2-trifluoroethyl 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 450.41 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 46680459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).