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

C24H30N2O3 — CID 19836727

IUPAC5-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)OC1=O
InChIInChI=1S/C24H30N2O3/c1-25-18-22(29-23(25)27)14-17-26-15-12-21(13-16-26)24(28,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,21-22,28H,12-18H2,1H3
InChIKeyZPPDKLDAODDNMA-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.48
Rot. Bonds6

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

5-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one (PubChem CID 19836727) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 5-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one
PubChem CID19836727
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name5-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)OC1=O
InChIInChI=1S/C24H30N2O3/c1-25-18-22(29-23(25)27)14-17-26-15-12-21(13-16-26)24(28,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,21-22,28H,12-18H2,1H3
InChIKeyZPPDKLDAODDNMA-UHFFFAOYSA-N
XLogP3.48
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one (CID 19836727) is 5-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one is CN1CC(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)OC1=O.
What is the InChIKey of 5-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is ZPPDKLDAODDNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-25-18-22(29-23(25)27)14-17-26-15-12-21(13-16-26)24(28,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,21-22,28H,12-18H2,1H3.
What are the key properties of 5-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one?
5-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 394.52 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 19836727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).