(4R)-3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-4-benzyl-1,3-oxazolidin-2-one

C22H26N4O3 — CID 124961497

IUPAC(4R)-3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-4-benzyl-1,3-oxazolidin-2-one
SMILESCC(=O)N1CCC(c2cc(N3C(=O)OC[C@H]3Cc3ccccc3)nc(C)n2)CC1
InChIInChI=1S/C22H26N4O3/c1-15-23-20(18-8-10-25(11-9-18)16(2)27)13-21(24-15)26-19(14-29-22(26)28)12-17-6-4-3-5-7-17/h3-7,13,18-19H,8-12,14H2,1-2H3/t19-/m1/s1
InChIKeyHBYXGSOLIMUWKQ-LJQANCHMSA-N
MW394.48 g/mol
LogP3.08
Rot. Bonds4

About (4R)-3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-4-benzyl-1,3-oxazolidin-2-one

(4R)-3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-4-benzyl-1,3-oxazolidin-2-one (PubChem CID 124961497) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is (4R)-3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-4-benzyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-4-benzyl-1,3-oxazolidin-2-one
PubChem CID124961497
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name(4R)-3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-4-benzyl-1,3-oxazolidin-2-one
SMILESCC(=O)N1CCC(c2cc(N3C(=O)OC[C@H]3Cc3ccccc3)nc(C)n2)CC1
InChIInChI=1S/C22H26N4O3/c1-15-23-20(18-8-10-25(11-9-18)16(2)27)13-21(24-15)26-19(14-29-22(26)28)12-17-6-4-3-5-7-17/h3-7,13,18-19H,8-12,14H2,1-2H3/t19-/m1/s1
InChIKeyHBYXGSOLIMUWKQ-LJQANCHMSA-N
XLogP3.08
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-4-benzyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-4-benzyl-1,3-oxazolidin-2-one (CID 124961497) is (4R)-3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-4-benzyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-4-benzyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-4-benzyl-1,3-oxazolidin-2-one is CC(=O)N1CCC(c2cc(N3C(=O)OC[C@H]3Cc3ccccc3)nc(C)n2)CC1.
What is the InChIKey of (4R)-3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-4-benzyl-1,3-oxazolidin-2-one?
The InChIKey is HBYXGSOLIMUWKQ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15-23-20(18-8-10-25(11-9-18)16(2)27)13-21(24-15)26-19(14-29-22(26)28)12-17-6-4-3-5-7-17/h3-7,13,18-19H,8-12,14H2,1-2H3/t19-/m1/s1.
What are the key properties of (4R)-3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-4-benzyl-1,3-oxazolidin-2-one?
(4R)-3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-4-benzyl-1,3-oxazolidin-2-one has a molecular weight of 394.48 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-4-benzyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 124961497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).