4-methyl-5-phenyl-3-[1-(2,4,5-trifluoro-3-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C23H23F3N2O4 — CID 3869157

IUPAC4-methyl-5-phenyl-3-[1-(2,4,5-trifluoro-3-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1c(F)c(F)cc(C(=O)N2CCC(N3C(=O)OC(c4ccccc4)C3C)CC2)c1F
InChIInChI=1S/C23H23F3N2O4/c1-13-20(14-6-4-3-5-7-14)32-23(30)28(13)15-8-10-27(11-9-15)22(29)16-12-17(24)19(26)21(31-2)18(16)25/h3-7,12-13,15,20H,8-11H2,1-2H3
InChIKeyMKGDINLZCAZQMA-UHFFFAOYSA-N
MW448.44 g/mol
LogP4.30
Rot. Bonds4

About 4-methyl-5-phenyl-3-[1-(2,4,5-trifluoro-3-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one

4-methyl-5-phenyl-3-[1-(2,4,5-trifluoro-3-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3869157) has the molecular formula C23H23F3N2O4 and a molecular weight of 448.44 g/mol. Its IUPAC name is 4-methyl-5-phenyl-3-[1-(2,4,5-trifluoro-3-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-5-phenyl-3-[1-(2,4,5-trifluoro-3-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3869157
Molecular FormulaC23H23F3N2O4
Molecular Weight448.44 g/mol
Exact Mass448.16
IUPAC Name4-methyl-5-phenyl-3-[1-(2,4,5-trifluoro-3-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1c(F)c(F)cc(C(=O)N2CCC(N3C(=O)OC(c4ccccc4)C3C)CC2)c1F
InChIInChI=1S/C23H23F3N2O4/c1-13-20(14-6-4-3-5-7-14)32-23(30)28(13)15-8-10-27(11-9-15)22(29)16-12-17(24)19(26)21(31-2)18(16)25/h3-7,12-13,15,20H,8-11H2,1-2H3
InChIKeyMKGDINLZCAZQMA-UHFFFAOYSA-N
XLogP4.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 23733118
(4S,5R)-3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 74229518
N-(4-methoxy-2-methylphenyl)-4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
CID 3815274
(4S,5R)-3-[1-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 74225021
4-methyl-3-[1-(5-nitrofuran-2-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 4992744
(4R,5S)-4-methyl-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 23996982
(4S,5R)-3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 74224687
3-[1-[3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 5006640
[2-[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 5004117
N-[2-[4-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 74228719
4-[2-[4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 23821824
3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 3844213

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-3-[1-(2,4,5-trifluoro-3-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-5-phenyl-3-[1-(2,4,5-trifluoro-3-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3869157) is 4-methyl-5-phenyl-3-[1-(2,4,5-trifluoro-3-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-5-phenyl-3-[1-(2,4,5-trifluoro-3-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-5-phenyl-3-[1-(2,4,5-trifluoro-3-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one is COc1c(F)c(F)cc(C(=O)N2CCC(N3C(=O)OC(c4ccccc4)C3C)CC2)c1F.
What is the InChIKey of 4-methyl-5-phenyl-3-[1-(2,4,5-trifluoro-3-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is MKGDINLZCAZQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O4/c1-13-20(14-6-4-3-5-7-14)32-23(30)28(13)15-8-10-27(11-9-15)22(29)16-12-17(24)19(26)21(31-2)18(16)25/h3-7,12-13,15,20H,8-11H2,1-2H3.
What are the key properties of 4-methyl-5-phenyl-3-[1-(2,4,5-trifluoro-3-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
4-methyl-5-phenyl-3-[1-(2,4,5-trifluoro-3-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 448.44 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-3-[1-(2,4,5-trifluoro-3-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3869157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).