propan-2-yl 2-[(2S)-1-benzyl-5-hydroxy-3-oxopiperidin-2-yl]acetate

C17H23NO4 — CID 102390889

IUPACpropan-2-yl 2-[(2S)-1-benzyl-5-hydroxy-3-oxopiperidin-2-yl]acetate
SMILESCC(C)OC(=O)C[C@H]1C(=O)CC(O)CN1Cc1ccccc1
InChIInChI=1S/C17H23NO4/c1-12(2)22-17(21)9-15-16(20)8-14(19)11-18(15)10-13-6-4-3-5-7-13/h3-7,12,14-15,19H,8-11H2,1-2H3/t14?,15-/m0/s1
InChIKeyJAVZBPWXIQEDNG-LOACHALJSA-N
MW305.37 g/mol
LogP1.53
Rot. Bonds5

About propan-2-yl 2-[(2S)-1-benzyl-5-hydroxy-3-oxopiperidin-2-yl]acetate

propan-2-yl 2-[(2S)-1-benzyl-5-hydroxy-3-oxopiperidin-2-yl]acetate (PubChem CID 102390889) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is propan-2-yl 2-[(2S)-1-benzyl-5-hydroxy-3-oxopiperidin-2-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(2S)-1-benzyl-5-hydroxy-3-oxopiperidin-2-yl]acetate
PubChem CID102390889
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namepropan-2-yl 2-[(2S)-1-benzyl-5-hydroxy-3-oxopiperidin-2-yl]acetate
SMILESCC(C)OC(=O)C[C@H]1C(=O)CC(O)CN1Cc1ccccc1
InChIInChI=1S/C17H23NO4/c1-12(2)22-17(21)9-15-16(20)8-14(19)11-18(15)10-13-6-4-3-5-7-13/h3-7,12,14-15,19H,8-11H2,1-2H3/t14?,15-/m0/s1
InChIKeyJAVZBPWXIQEDNG-LOACHALJSA-N
XLogP1.53
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(2S)-1-benzyl-5-hydroxy-3-oxopiperidin-2-yl]acetate?
The IUPAC name of propan-2-yl 2-[(2S)-1-benzyl-5-hydroxy-3-oxopiperidin-2-yl]acetate (CID 102390889) is propan-2-yl 2-[(2S)-1-benzyl-5-hydroxy-3-oxopiperidin-2-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[(2S)-1-benzyl-5-hydroxy-3-oxopiperidin-2-yl]acetate?
The canonical SMILES for propan-2-yl 2-[(2S)-1-benzyl-5-hydroxy-3-oxopiperidin-2-yl]acetate is CC(C)OC(=O)C[C@H]1C(=O)CC(O)CN1Cc1ccccc1.
What is the InChIKey of propan-2-yl 2-[(2S)-1-benzyl-5-hydroxy-3-oxopiperidin-2-yl]acetate?
The InChIKey is JAVZBPWXIQEDNG-LOACHALJSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12(2)22-17(21)9-15-16(20)8-14(19)11-18(15)10-13-6-4-3-5-7-13/h3-7,12,14-15,19H,8-11H2,1-2H3/t14?,15-/m0/s1.
What are the key properties of propan-2-yl 2-[(2S)-1-benzyl-5-hydroxy-3-oxopiperidin-2-yl]acetate?
propan-2-yl 2-[(2S)-1-benzyl-5-hydroxy-3-oxopiperidin-2-yl]acetate has a molecular weight of 305.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(2S)-1-benzyl-5-hydroxy-3-oxopiperidin-2-yl]acetate is sourced from PubChem (CID 102390889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).