3-[2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C20H22N2O4 — CID 50958250

IUPAC3-[2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1
InChIInChI=1S/C20H22N2O4/c23-18-12-21(19(24)13-22-9-10-26-20(22)25)8-7-17(18)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,17-18,23H,7-10,12-13H2/t17-,18+/m0/s1
InChIKeyAQVYMFVAWXVHIW-ZWKOTPCHSA-N
MW354.41 g/mol
LogP1.97
Rot. Bonds3

About 3-[2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 50958250) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID50958250
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-[2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1
InChIInChI=1S/C20H22N2O4/c23-18-12-21(19(24)13-22-9-10-26-20(22)25)8-7-17(18)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,17-18,23H,7-10,12-13H2/t17-,18+/m0/s1
InChIKeyAQVYMFVAWXVHIW-ZWKOTPCHSA-N
XLogP1.97
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 50958250) is 3-[2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1.
What is the InChIKey of 3-[2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is AQVYMFVAWXVHIW-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-18-12-21(19(24)13-22-9-10-26-20(22)25)8-7-17(18)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,17-18,23H,7-10,12-13H2/t17-,18+/m0/s1.
What are the key properties of 3-[2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 354.41 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 50958250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).