(4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one

C25H27N3O3 — CID 23733118

IUPAC(4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C1CCN(C(=O)c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C25H27N3O3/c1-17-23(18-8-4-3-5-9-18)31-25(30)28(17)19-12-14-27(15-13-19)24(29)21-16-26(2)22-11-7-6-10-20(21)22/h3-11,16-17,19,23H,12-15H2,1-2H3/t17-,23-/m0/s1
InChIKeyWEXGSHRCEHSDBM-SBUREZEXSA-N
MW417.51 g/mol
LogP4.36
Rot. Bonds3

About (4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one

(4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 23733118) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is (4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
PubChem CID23733118
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name(4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C1CCN(C(=O)c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C25H27N3O3/c1-17-23(18-8-4-3-5-9-18)31-25(30)28(17)19-12-14-27(15-13-19)24(29)21-16-26(2)22-11-7-6-10-20(21)22/h3-11,16-17,19,23H,12-15H2,1-2H3/t17-,23-/m0/s1
InChIKeyWEXGSHRCEHSDBM-SBUREZEXSA-N
XLogP4.36
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one (CID 23733118) is (4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one is C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C1CCN(C(=O)c2cn(C)c3ccccc23)CC1.
What is the InChIKey of (4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is WEXGSHRCEHSDBM-SBUREZEXSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-17-23(18-8-4-3-5-9-18)31-25(30)28(17)19-12-14-27(15-13-19)24(29)21-16-26(2)22-11-7-6-10-20(21)22/h3-11,16-17,19,23H,12-15H2,1-2H3/t17-,23-/m0/s1.
What are the key properties of (4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one?
(4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 417.51 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 23733118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).