(5R)-5-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one

C15H21N3O3 — CID 95223633

IUPAC(5R)-5-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(C2(O)CCN(C[C@H]3CNC(=O)O3)CC2)nc1
InChIInChI=1S/C15H21N3O3/c1-11-2-3-13(16-8-11)15(20)4-6-18(7-5-15)10-12-9-17-14(19)21-12/h2-3,8,12,20H,4-7,9-10H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyZTYITBRTYPRUTM-GFCCVEGCSA-N
MW291.35 g/mol
LogP0.78
Rot. Bonds3

About (5R)-5-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one

(5R)-5-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 95223633) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (5R)-5-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID95223633
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(5R)-5-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(C2(O)CCN(C[C@H]3CNC(=O)O3)CC2)nc1
InChIInChI=1S/C15H21N3O3/c1-11-2-3-13(16-8-11)15(20)4-6-18(7-5-15)10-12-9-17-14(19)21-12/h2-3,8,12,20H,4-7,9-10H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyZTYITBRTYPRUTM-GFCCVEGCSA-N
XLogP0.78
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one (CID 95223633) is (5R)-5-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one is Cc1ccc(C2(O)CCN(C[C@H]3CNC(=O)O3)CC2)nc1.
What is the InChIKey of (5R)-5-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is ZTYITBRTYPRUTM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-2-3-13(16-8-11)15(20)4-6-18(7-5-15)10-12-9-17-14(19)21-12/h2-3,8,12,20H,4-7,9-10H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of (5R)-5-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one?
(5R)-5-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 291.35 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 95223633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).