(4-cyano-1-methoxypiperidin-4-yl) 2-(2,4,5-trimethylphenyl)acetate

C18H24N2O3 — CID 66797816

IUPAC(4-cyano-1-methoxypiperidin-4-yl) 2-(2,4,5-trimethylphenyl)acetate
SMILESCON1CCC(C#N)(OC(=O)Cc2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C18H24N2O3/c1-13-9-15(3)16(10-14(13)2)11-17(21)23-18(12-19)5-7-20(22-4)8-6-18/h9-10H,5-8,11H2,1-4H3
InChIKeyOAVFXYNKVRDEPQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.62
Rot. Bonds4

About (4-cyano-1-methoxypiperidin-4-yl) 2-(2,4,5-trimethylphenyl)acetate

(4-cyano-1-methoxypiperidin-4-yl) 2-(2,4,5-trimethylphenyl)acetate (PubChem CID 66797816) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (4-cyano-1-methoxypiperidin-4-yl) 2-(2,4,5-trimethylphenyl)acetate.

Molecular Properties

Compound Name(4-cyano-1-methoxypiperidin-4-yl) 2-(2,4,5-trimethylphenyl)acetate
PubChem CID66797816
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(4-cyano-1-methoxypiperidin-4-yl) 2-(2,4,5-trimethylphenyl)acetate
SMILESCON1CCC(C#N)(OC(=O)Cc2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C18H24N2O3/c1-13-9-15(3)16(10-14(13)2)11-17(21)23-18(12-19)5-7-20(22-4)8-6-18/h9-10H,5-8,11H2,1-4H3
InChIKeyOAVFXYNKVRDEPQ-UHFFFAOYSA-N
XLogP2.62
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cyano-1-methoxypiperidin-4-yl) 2-(2,4,5-trimethylphenyl)acetate?
The IUPAC name of (4-cyano-1-methoxypiperidin-4-yl) 2-(2,4,5-trimethylphenyl)acetate (CID 66797816) is (4-cyano-1-methoxypiperidin-4-yl) 2-(2,4,5-trimethylphenyl)acetate.
What is the SMILES notation for (4-cyano-1-methoxypiperidin-4-yl) 2-(2,4,5-trimethylphenyl)acetate?
The canonical SMILES for (4-cyano-1-methoxypiperidin-4-yl) 2-(2,4,5-trimethylphenyl)acetate is CON1CCC(C#N)(OC(=O)Cc2cc(C)c(C)cc2C)CC1.
What is the InChIKey of (4-cyano-1-methoxypiperidin-4-yl) 2-(2,4,5-trimethylphenyl)acetate?
The InChIKey is OAVFXYNKVRDEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-9-15(3)16(10-14(13)2)11-17(21)23-18(12-19)5-7-20(22-4)8-6-18/h9-10H,5-8,11H2,1-4H3.
What are the key properties of (4-cyano-1-methoxypiperidin-4-yl) 2-(2,4,5-trimethylphenyl)acetate?
(4-cyano-1-methoxypiperidin-4-yl) 2-(2,4,5-trimethylphenyl)acetate has a molecular weight of 316.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-1-methoxypiperidin-4-yl) 2-(2,4,5-trimethylphenyl)acetate is sourced from PubChem (CID 66797816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).