(1-benzoyl-2,2,6,6-tetramethylpiperidin-4-yl) propanoate

C19H27NO3 — CID 139992173

IUPAC(1-benzoyl-2,2,6,6-tetramethylpiperidin-4-yl) propanoate
SMILESCCC(=O)OC1CC(C)(C)N(C(=O)c2ccccc2)C(C)(C)C1
InChIInChI=1S/C19H27NO3/c1-6-16(21)23-15-12-18(2,3)20(19(4,5)13-15)17(22)14-10-8-7-9-11-14/h7-11,15H,6,12-13H2,1-5H3
InChIKeyWPQIHQQMIYILCT-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.80
Rot. Bonds3

About (1-benzoyl-2,2,6,6-tetramethylpiperidin-4-yl) propanoate

(1-benzoyl-2,2,6,6-tetramethylpiperidin-4-yl) propanoate (PubChem CID 139992173) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (1-benzoyl-2,2,6,6-tetramethylpiperidin-4-yl) propanoate.

Molecular Properties

Compound Name(1-benzoyl-2,2,6,6-tetramethylpiperidin-4-yl) propanoate
PubChem CID139992173
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(1-benzoyl-2,2,6,6-tetramethylpiperidin-4-yl) propanoate
SMILESCCC(=O)OC1CC(C)(C)N(C(=O)c2ccccc2)C(C)(C)C1
InChIInChI=1S/C19H27NO3/c1-6-16(21)23-15-12-18(2,3)20(19(4,5)13-15)17(22)14-10-8-7-9-11-14/h7-11,15H,6,12-13H2,1-5H3
InChIKeyWPQIHQQMIYILCT-UHFFFAOYSA-N
XLogP3.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 2,2,6,6-tetramethyl-4-[9-oxo-9-[9-oxo-9-(2,2,6,6-tetramethyl-1-phenoxycarbonylpiperidin-4-yl)oxynonanoyl]peroxynonanoyl]oxypiperidine-1-carboxylate
CID 23052589
[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 67852784
[1-[7-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 57063329
1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone
CID 159951364
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-benzylideneheptanedioate
CID 59107242
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]carbamoyl]benzoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate
CID 54392170
[4-(2,2-dimethyl-3-phenylmethoxypropanoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 163433936
[1-(2,2-dimethylpropanoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 22182242
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 15019922
dimethyl 1-benzoyl-3,3-dimethylaziridine-2,2-dicarboxylate
CID 166446380
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]-3-oxo-2-phenylpropanoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate
CID 54497185
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-pyridin-2-ylacetate
CID 68718467

Frequently Asked Questions

What is the IUPAC name of (1-benzoyl-2,2,6,6-tetramethylpiperidin-4-yl) propanoate?
The IUPAC name of (1-benzoyl-2,2,6,6-tetramethylpiperidin-4-yl) propanoate (CID 139992173) is (1-benzoyl-2,2,6,6-tetramethylpiperidin-4-yl) propanoate.
What is the SMILES notation for (1-benzoyl-2,2,6,6-tetramethylpiperidin-4-yl) propanoate?
The canonical SMILES for (1-benzoyl-2,2,6,6-tetramethylpiperidin-4-yl) propanoate is CCC(=O)OC1CC(C)(C)N(C(=O)c2ccccc2)C(C)(C)C1.
What is the InChIKey of (1-benzoyl-2,2,6,6-tetramethylpiperidin-4-yl) propanoate?
The InChIKey is WPQIHQQMIYILCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-6-16(21)23-15-12-18(2,3)20(19(4,5)13-15)17(22)14-10-8-7-9-11-14/h7-11,15H,6,12-13H2,1-5H3.
What are the key properties of (1-benzoyl-2,2,6,6-tetramethylpiperidin-4-yl) propanoate?
(1-benzoyl-2,2,6,6-tetramethylpiperidin-4-yl) propanoate has a molecular weight of 317.43 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoyl-2,2,6,6-tetramethylpiperidin-4-yl) propanoate is sourced from PubChem (CID 139992173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).