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

C18H25NO5 — CID 174725172

IUPAC1-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate
SMILESCOc1ccc(C(=O)C2CCN(C(C)OC(C)=O)CC2)cc1OC
InChIInChI=1S/C18H25NO5/c1-12(24-13(2)20)19-9-7-14(8-10-19)18(21)15-5-6-16(22-3)17(11-15)23-4/h5-6,11-12,14H,7-10H2,1-4H3
InChIKeyHHUBLMYACACWCM-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.51
Rot. Bonds6

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

1-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate (PubChem CID 174725172) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate.

Molecular Properties

Compound Name1-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate
PubChem CID174725172
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name1-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate
SMILESCOc1ccc(C(=O)C2CCN(C(C)OC(C)=O)CC2)cc1OC
InChIInChI=1S/C18H25NO5/c1-12(24-13(2)20)19-9-7-14(8-10-19)18(21)15-5-6-16(22-3)17(11-15)23-4/h5-6,11-12,14H,7-10H2,1-4H3
InChIKeyHHUBLMYACACWCM-UHFFFAOYSA-N
XLogP2.51
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate?
The IUPAC name of 1-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate (CID 174725172) is 1-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate.
What is the SMILES notation for 1-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate?
The canonical SMILES for 1-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate is COc1ccc(C(=O)C2CCN(C(C)OC(C)=O)CC2)cc1OC.
What is the InChIKey of 1-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate?
The InChIKey is HHUBLMYACACWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-12(24-13(2)20)19-9-7-14(8-10-19)18(21)15-5-6-16(22-3)17(11-15)23-4/h5-6,11-12,14H,7-10H2,1-4H3.
What are the key properties of 1-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate?
1-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate has a molecular weight of 335.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethyl acetate is sourced from PubChem (CID 174725172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).