5-methyl-3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one

C17H25N3O2 — CID 110099063

IUPAC5-methyl-3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC1CN(c2cccc(C3CCN(C(C)C)CC3)n2)C(=O)O1
InChIInChI=1S/C17H25N3O2/c1-12(2)19-9-7-14(8-10-19)15-5-4-6-16(18-15)20-11-13(3)22-17(20)21/h4-6,12-14H,7-11H2,1-3H3
InChIKeyDZEOIJKPRDIARC-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.01
Rot. Bonds3

About 5-methyl-3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one

5-methyl-3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 110099063) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-methyl-3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID110099063
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name5-methyl-3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC1CN(c2cccc(C3CCN(C(C)C)CC3)n2)C(=O)O1
InChIInChI=1S/C17H25N3O2/c1-12(2)19-9-7-14(8-10-19)15-5-4-6-16(18-15)20-11-13(3)22-17(20)21/h4-6,12-14H,7-11H2,1-3H3
InChIKeyDZEOIJKPRDIARC-UHFFFAOYSA-N
XLogP3.01
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one (CID 110099063) is 5-methyl-3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one is CC1CN(c2cccc(C3CCN(C(C)C)CC3)n2)C(=O)O1.
What is the InChIKey of 5-methyl-3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is DZEOIJKPRDIARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)19-9-7-14(8-10-19)15-5-4-6-16(18-15)20-11-13(3)22-17(20)21/h4-6,12-14H,7-11H2,1-3H3.
What are the key properties of 5-methyl-3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one?
5-methyl-3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 303.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110099063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).