3-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C20H28N2O4 — CID 70740433

IUPAC3-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)(O)CCc1cccc(C(=O)N2CCC(N3CCOC3=O)CC2)c1
InChIInChI=1S/C20H28N2O4/c1-20(2,25)9-6-15-4-3-5-16(14-15)18(23)21-10-7-17(8-11-21)22-12-13-26-19(22)24/h3-5,14,17,25H,6-13H2,1-2H3
InChIKeyFJCARMBEMIFWLH-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.45
Rot. Bonds5

About 3-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 70740433) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 3-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID70740433
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name3-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)(O)CCc1cccc(C(=O)N2CCC(N3CCOC3=O)CC2)c1
InChIInChI=1S/C20H28N2O4/c1-20(2,25)9-6-15-4-3-5-16(14-15)18(23)21-10-7-17(8-11-21)22-12-13-26-19(22)24/h3-5,14,17,25H,6-13H2,1-2H3
InChIKeyFJCARMBEMIFWLH-UHFFFAOYSA-N
XLogP2.45
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 70740433) is 3-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is CC(C)(O)CCc1cccc(C(=O)N2CCC(N3CCOC3=O)CC2)c1.
What is the InChIKey of 3-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is FJCARMBEMIFWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-20(2,25)9-6-15-4-3-5-16(14-15)18(23)21-10-7-17(8-11-21)22-12-13-26-19(22)24/h3-5,14,17,25H,6-13H2,1-2H3.
What are the key properties of 3-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 360.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70740433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).