(4-carbamoyl-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate

C18H26N2O4 — CID 66793989

IUPAC(4-carbamoyl-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate
SMILESCON1CCC(OC(=O)Cc2c(C)cc(C)cc2C)(C(N)=O)CC1
InChIInChI=1S/C18H26N2O4/c1-12-9-13(2)15(14(3)10-12)11-16(21)24-18(17(19)22)5-7-20(23-4)8-6-18/h9-10H,5-8,11H2,1-4H3,(H2,19,22)
InChIKeyNQKBQLOEZXDJQW-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.58
Rot. Bonds5

About (4-carbamoyl-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate

(4-carbamoyl-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate (PubChem CID 66793989) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (4-carbamoyl-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate.

Molecular Properties

Compound Name(4-carbamoyl-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate
PubChem CID66793989
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(4-carbamoyl-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate
SMILESCON1CCC(OC(=O)Cc2c(C)cc(C)cc2C)(C(N)=O)CC1
InChIInChI=1S/C18H26N2O4/c1-12-9-13(2)15(14(3)10-12)11-16(21)24-18(17(19)22)5-7-20(23-4)8-6-18/h9-10H,5-8,11H2,1-4H3,(H2,19,22)
InChIKeyNQKBQLOEZXDJQW-UHFFFAOYSA-N
XLogP1.58
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-carbamoyl-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate?
The IUPAC name of (4-carbamoyl-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate (CID 66793989) is (4-carbamoyl-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate.
What is the SMILES notation for (4-carbamoyl-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate?
The canonical SMILES for (4-carbamoyl-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate is CON1CCC(OC(=O)Cc2c(C)cc(C)cc2C)(C(N)=O)CC1.
What is the InChIKey of (4-carbamoyl-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate?
The InChIKey is NQKBQLOEZXDJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12-9-13(2)15(14(3)10-12)11-16(21)24-18(17(19)22)5-7-20(23-4)8-6-18/h9-10H,5-8,11H2,1-4H3,(H2,19,22).
What are the key properties of (4-carbamoyl-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate?
(4-carbamoyl-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate has a molecular weight of 334.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoyl-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate is sourced from PubChem (CID 66793989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).