2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate

C18H25NO5 — CID 174725170

IUPAC2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate
SMILESCOc1ccc(C(=O)C2CCN(CCOC(C)=O)CC2)cc1OC
InChIInChI=1S/C18H25NO5/c1-13(20)24-11-10-19-8-6-14(7-9-19)18(21)15-4-5-16(22-2)17(12-15)23-3/h4-5,12,14H,6-11H2,1-3H3
InChIKeyOVJUEPNYSJTAPT-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.16
Rot. Bonds7

About 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate

2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate (PubChem CID 174725170) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate
PubChem CID174725170
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate
SMILESCOc1ccc(C(=O)C2CCN(CCOC(C)=O)CC2)cc1OC
InChIInChI=1S/C18H25NO5/c1-13(20)24-11-10-19-8-6-14(7-9-19)18(21)15-4-5-16(22-2)17(12-15)23-3/h4-5,12,14H,6-11H2,1-3H3
InChIKeyOVJUEPNYSJTAPT-UHFFFAOYSA-N
XLogP2.16
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate?
The IUPAC name of 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate (CID 174725170) is 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate.
What is the SMILES notation for 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate?
The canonical SMILES for 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate is COc1ccc(C(=O)C2CCN(CCOC(C)=O)CC2)cc1OC.
What is the InChIKey of 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate?
The InChIKey is OVJUEPNYSJTAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-13(20)24-11-10-19-8-6-14(7-9-19)18(21)15-4-5-16(22-2)17(12-15)23-3/h4-5,12,14H,6-11H2,1-3H3.
What are the key properties of 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate?
2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate has a molecular weight of 335.40 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate is sourced from PubChem (CID 174725170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).