methyl 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]piperidine-1-carboxylate

C28H35F3N4O4 — CID 118880436

IUPACmethyl 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCN(c1ncc(C)cc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C)C1CCN(C(=O)OC)CC1
InChIInChI=1S/C28H35F3N4O4/c1-6-34(23-7-9-33(10-8-23)26(36)38-5)25-21(12-18(3)15-32-25)16-35-19(4)24(39-27(35)37)20-11-17(2)13-22(14-20)28(29,30)31/h11-15,19,23-24H,6-10,16H2,1-5H3/t19-,24-/m0/s1
InChIKeyLWPBITGOMIFABX-CYFREDJKSA-N
MW548.61 g/mol
LogP5.86
Rot. Bonds6

About methyl 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]piperidine-1-carboxylate

methyl 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 118880436) has the molecular formula C28H35F3N4O4 and a molecular weight of 548.61 g/mol. Its IUPAC name is methyl 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID118880436
Molecular FormulaC28H35F3N4O4
Molecular Weight548.61 g/mol
Exact Mass548.26
IUPAC Namemethyl 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCN(c1ncc(C)cc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C)C1CCN(C(=O)OC)CC1
InChIInChI=1S/C28H35F3N4O4/c1-6-34(23-7-9-33(10-8-23)26(36)38-5)25-21(12-18(3)15-32-25)16-35-19(4)24(39-27(35)37)20-11-17(2)13-22(14-20)28(29,30)31/h11-15,19,23-24H,6-10,16H2,1-5H3/t19-,24-/m0/s1
InChIKeyLWPBITGOMIFABX-CYFREDJKSA-N
XLogP5.86
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.61
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpiperidine-1-carboxamide;(4S,5R)-3-[[2-[ethyl(piperidin-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 159209918
(4S,5R)-3-[[2-[ethyl(thian-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 118880428
3-[[2-[(1-acetylpiperidin-4-yl)-ethylamino]-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 123588514
(4S,5R)-3-[[2-[(1-acetylpiperidin-4-yl)-ethylamino]-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 72944979
5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[ethyl-(1-propanoylpiperidin-4-yl)amino]-5-(trifluoromethyl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 123261791
(4S,5R)-3-[[5-(azetidin-1-yl)-2-[ethyl(oxan-4-yl)amino]-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 118880448
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[ethyl(piperidin-4-yl)amino]-5-(trifluoromethyl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 72944978
(4S)-3-[[2-[cyclohexyl(ethyl)amino]-5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 118880469
methyl 2-[4-[[3-[[5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-5-(1-fluoroethyl)-2-pyridinyl]-ethylamino]cyclohexyl]acetate
CID 123323361
(4S,5R)-3-[[5-bromo-2-[cyclohexyl(ethyl)amino]-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-[cyclohexyl(ethyl)amino]-5-(1-methyltetrazol-5-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 157430696
2-chloro-5-methylpyridine-3-carbaldehyde;(4S,5R)-3-[[2-[cyclobutyl(oxan-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 162064055
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[cyclohexyl(ethyl)amino]-5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 85472904

Frequently Asked Questions

What is the IUPAC name of methyl 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]piperidine-1-carboxylate (CID 118880436) is methyl 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]piperidine-1-carboxylate is CCN(c1ncc(C)cc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C)C1CCN(C(=O)OC)CC1.
What is the InChIKey of methyl 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is LWPBITGOMIFABX-CYFREDJKSA-N. The full InChI is InChI=1S/C28H35F3N4O4/c1-6-34(23-7-9-33(10-8-23)26(36)38-5)25-21(12-18(3)15-32-25)16-35-19(4)24(39-27(35)37)20-11-17(2)13-22(14-20)28(29,30)31/h11-15,19,23-24H,6-10,16H2,1-5H3/t19-,24-/m0/s1.
What are the key properties of methyl 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]piperidine-1-carboxylate?
methyl 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 548.61 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 118880436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).