(2R,3S,4S,5R)-N-(1-acetylpiperidin-4-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C22H27F5N2O4 — CID 166160803

IUPAC(2R,3S,4S,5R)-N-(1-acetylpiperidin-4-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)NC3CCN(C(C)=O)CC3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C22H27F5N2O4/c1-11-16(14-5-6-15(23)17(24)18(14)32-4)19(33-21(11,3)22(25,26)27)20(31)28-13-7-9-29(10-8-13)12(2)30/h5-6,11,13,16,19H,7-10H2,1-4H3,(H,28,31)/t11-,16-,19+,21+/m0/s1
InChIKeyARDJZOYGCLIJDT-YFVHLLGCSA-N
MW478.46 g/mol
LogP3.54
Rot. Bonds4

About (2R,3S,4S,5R)-N-(1-acetylpiperidin-4-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-N-(1-acetylpiperidin-4-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166160803) has the molecular formula C22H27F5N2O4 and a molecular weight of 478.46 g/mol. Its IUPAC name is (2R,3S,4S,5R)-N-(1-acetylpiperidin-4-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-N-(1-acetylpiperidin-4-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166160803
Molecular FormulaC22H27F5N2O4
Molecular Weight478.46 g/mol
Exact Mass478.19
IUPAC Name(2R,3S,4S,5R)-N-(1-acetylpiperidin-4-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)NC3CCN(C(C)=O)CC3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C22H27F5N2O4/c1-11-16(14-5-6-15(23)17(24)18(14)32-4)19(33-21(11,3)22(25,26)27)20(31)28-13-7-9-29(10-8-13)12(2)30/h5-6,11,13,16,19H,7-10H2,1-4H3,(H,28,31)/t11-,16-,19+,21+/m0/s1
InChIKeyARDJZOYGCLIJDT-YFVHLLGCSA-N
XLogP3.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3S,4S,5R)-N-(1-acetylpiperidin-4-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide with MolForge

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Related Compounds

(2R,3S,4S,5R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160437
(1R,4S)-5-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 176860243
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160235
(2S,3S,4S,5R)-N-(2-acetyl-4-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 170407687
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166161025
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
CID 170973009
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167212379
(2R,3S,4S,5R)-N-(6-bromo-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211949
(2R,3S,4S,5R)-N-(2-acetyl-6-chloro-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 177360210
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[5-fluoro-2-(piperazine-1-carbonyl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166159829
6-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxamide
CID 166160569
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(3R)-3,4-dimethylpiperazine-1-carbonyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166159873

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-N-(1-acetylpiperidin-4-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-N-(1-acetylpiperidin-4-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166160803) is (2R,3S,4S,5R)-N-(1-acetylpiperidin-4-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-N-(1-acetylpiperidin-4-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-N-(1-acetylpiperidin-4-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is COc1c([C@H]2[C@H](C(=O)NC3CCN(C(C)=O)CC3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F.
What is the InChIKey of (2R,3S,4S,5R)-N-(1-acetylpiperidin-4-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is ARDJZOYGCLIJDT-YFVHLLGCSA-N. The full InChI is InChI=1S/C22H27F5N2O4/c1-11-16(14-5-6-15(23)17(24)18(14)32-4)19(33-21(11,3)22(25,26)27)20(31)28-13-7-9-29(10-8-13)12(2)30/h5-6,11,13,16,19H,7-10H2,1-4H3,(H,28,31)/t11-,16-,19+,21+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-N-(1-acetylpiperidin-4-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-N-(1-acetylpiperidin-4-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 478.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-N-(1-acetylpiperidin-4-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166160803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).