ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate

C18H25NO4 — CID 71226501

IUPACethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(C(=O)c2ccc(OC)c(C)c2)CC1
InChIInChI=1S/C18H25NO4/c1-4-23-17(20)12-19-9-7-14(8-10-19)18(21)15-5-6-16(22-3)13(2)11-15/h5-6,11,14H,4,7-10,12H2,1-3H3
InChIKeyVBNGSBMUZWCHLS-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.46
Rot. Bonds6

About ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate

ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate (PubChem CID 71226501) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate
PubChem CID71226501
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Nameethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(C(=O)c2ccc(OC)c(C)c2)CC1
InChIInChI=1S/C18H25NO4/c1-4-23-17(20)12-19-9-7-14(8-10-19)18(21)15-5-6-16(22-3)13(2)11-15/h5-6,11,14H,4,7-10,12H2,1-3H3
InChIKeyVBNGSBMUZWCHLS-UHFFFAOYSA-N
XLogP2.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(3,4-dihydroxybenzoyl)piperidin-1-yl]acetate
CID 71236046
(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone
CID 116917663
ethyl 4-(3,4-dimethylbenzoyl)piperidine-1-carboxylate
CID 110394203
4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one
CID 116920244
(4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917590
(4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone
CID 82295897
2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone
CID 106892565
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-(4-methoxy-3-methylphenyl)methanone
CID 171947236
N-(2,4-dimethoxyphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 24762127
[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 110394232
(3-amino-4-ethoxyphenyl)-cyclopropylmethanone
CID 82152472
(4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
CID 114975950

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate (CID 71226501) is ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate is CCOC(=O)CN1CCC(C(=O)c2ccc(OC)c(C)c2)CC1.
What is the InChIKey of ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate?
The InChIKey is VBNGSBMUZWCHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-4-23-17(20)12-19-9-7-14(8-10-19)18(21)15-5-6-16(22-3)13(2)11-15/h5-6,11,14H,4,7-10,12H2,1-3H3.
What are the key properties of ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate?
ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate has a molecular weight of 319.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate is sourced from PubChem (CID 71226501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).