(4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one

C24H26N2O4 — CID 67381029

IUPAC(4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc(N4C(=O)OC[C@H]4C)cc3)CC2)cc1
InChIInChI=1S/C24H26N2O4/c1-16-3-5-18(6-4-16)22(27)19-11-13-25(14-12-19)23(28)20-7-9-21(10-8-20)26-17(2)15-30-24(26)29/h3-10,17,19H,11-15H2,1-2H3/t17-/m1/s1
InChIKeyKQOCWSPEGGWWGL-QGZVFWFLSA-N
MW406.48 g/mol
LogP4.08
Rot. Bonds4

About (4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one

(4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 67381029) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is (4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID67381029
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name(4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc(N4C(=O)OC[C@H]4C)cc3)CC2)cc1
InChIInChI=1S/C24H26N2O4/c1-16-3-5-18(6-4-16)22(27)19-11-13-25(14-12-19)23(28)20-7-9-21(10-8-20)26-17(2)15-30-24(26)29/h3-10,17,19H,11-15H2,1-2H3/t17-/m1/s1
InChIKeyKQOCWSPEGGWWGL-QGZVFWFLSA-N
XLogP4.08
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
(4R)-3-[6-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 54755119
(4S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381184
4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one
CID 67382032
(4R)-4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one
CID 67382025
(4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone
CID 55956327
4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 67381355
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
(4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380790
(4R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380868
(4-methylphenyl)-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55957097
3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one
CID 67381086

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one (CID 67381029) is (4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one is Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(N4C(=O)OC[C@H]4C)cc3)CC2)cc1.
What is the InChIKey of (4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is KQOCWSPEGGWWGL-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-16-3-5-18(6-4-16)22(27)19-11-13-25(14-12-19)23(28)20-7-9-21(10-8-20)26-17(2)15-30-24(26)29/h3-10,17,19H,11-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
(4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 406.48 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67381029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).