1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C20H24F3N3O2 — CID 26009021

IUPAC1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESC[C@H](C1CC1)N(CC(F)(F)F)C(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C20H24F3N3O2/c1-13(14-6-7-14)26(12-20(21,22)23)18(27)15-8-10-25(11-9-15)19-24-16-4-2-3-5-17(16)28-19/h2-5,13-15H,6-12H2,1H3/t13-/m1/s1
InChIKeySLZMWGAMECKESX-CYBMUJFWSA-N
MW395.43 g/mol
LogP4.23
Rot. Bonds5

About 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 26009021) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID26009021
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESC[C@H](C1CC1)N(CC(F)(F)F)C(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C20H24F3N3O2/c1-13(14-6-7-14)26(12-20(21,22)23)18(27)15-8-10-25(11-9-15)19-24-16-4-2-3-5-17(16)28-19/h2-5,13-15H,6-12H2,1H3/t13-/m1/s1
InChIKeySLZMWGAMECKESX-CYBMUJFWSA-N
XLogP4.23
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride
CID 119584379
1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide
CID 134012022
1-(1,3-benzoxazol-2-yl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 71905916
1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide
CID 24584539
3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-ethylamino]propanoic acid
CID 119190939
1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide
CID 24584534
[(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 35738120
1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 34581496
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3692836

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 26009021) is 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is C[C@H](C1CC1)N(CC(F)(F)F)C(=O)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is SLZMWGAMECKESX-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-13(14-6-7-14)26(12-20(21,22)23)18(27)15-8-10-25(11-9-15)19-24-16-4-2-3-5-17(16)28-19/h2-5,13-15H,6-12H2,1H3/t13-/m1/s1.
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 26009021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).