[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate

C19H24N2O5 — CID 8725827

IUPAC[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
SMILESC[C@H]1C[C@H](C)CN(C(=O)COC(=O)CCn2c(=O)oc3ccccc32)C1
InChIInChI=1S/C19H24N2O5/c1-13-9-14(2)11-20(10-13)17(22)12-25-18(23)7-8-21-15-5-3-4-6-16(15)26-19(21)24/h3-6,13-14H,7-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyZYDPECZTUYQJAB-KBPBESRZSA-N
MW360.41 g/mol
LogP2.03
Rot. Bonds5

About [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate

[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate (PubChem CID 8725827) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate.

Molecular Properties

Compound Name[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
PubChem CID8725827
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
SMILESC[C@H]1C[C@H](C)CN(C(=O)COC(=O)CCn2c(=O)oc3ccccc32)C1
InChIInChI=1S/C19H24N2O5/c1-13-9-14(2)11-20(10-13)17(22)12-25-18(23)7-8-21-15-5-3-4-6-16(15)26-19(21)24/h3-6,13-14H,7-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyZYDPECZTUYQJAB-KBPBESRZSA-N
XLogP2.03
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The IUPAC name of [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate (CID 8725827) is [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate.
What is the SMILES notation for [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The canonical SMILES for [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate is C[C@H]1C[C@H](C)CN(C(=O)COC(=O)CCn2c(=O)oc3ccccc32)C1.
What is the InChIKey of [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The InChIKey is ZYDPECZTUYQJAB-KBPBESRZSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-13-9-14(2)11-20(10-13)17(22)12-25-18(23)7-8-21-15-5-3-4-6-16(15)26-19(21)24/h3-6,13-14H,7-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate has a molecular weight of 360.41 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate is sourced from PubChem (CID 8725827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).