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

C18H25NO5 — CID 71226849

IUPACethyl 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(C(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C18H25NO5/c1-4-24-17(20)12-19-9-7-13(8-10-19)18(21)14-5-6-15(22-2)16(11-14)23-3/h5-6,11,13H,4,7-10,12H2,1-3H3
InChIKeyVNRSHRHZRHGZPA-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.16
Rot. Bonds7

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

ethyl 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]acetate (PubChem CID 71226849) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]acetate
PubChem CID71226849
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Nameethyl 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(C(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C18H25NO5/c1-4-24-17(20)12-19-9-7-13(8-10-19)18(21)14-5-6-15(22-2)16(11-14)23-3/h5-6,11,13H,4,7-10,12H2,1-3H3
InChIKeyVNRSHRHZRHGZPA-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]acetate (CID 71226849) is ethyl 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]acetate is CCOC(=O)CN1CCC(C(=O)c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of ethyl 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]acetate?
The InChIKey is VNRSHRHZRHGZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-4-24-17(20)12-19-9-7-13(8-10-19)18(21)14-5-6-15(22-2)16(11-14)23-3/h5-6,11,13H,4,7-10,12H2,1-3H3.
What are the key properties of ethyl 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]acetate?
ethyl 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]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 ethyl 2-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]acetate is sourced from PubChem (CID 71226849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).