ethyl 2-[1-(4-chloro-3-methoxybenzoyl)piperidin-4-yl]acetate

C17H22ClNO4 — CID 122156233

IUPACethyl 2-[1-(4-chloro-3-methoxybenzoyl)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(C(=O)c2ccc(Cl)c(OC)c2)CC1
InChIInChI=1S/C17H22ClNO4/c1-3-23-16(20)10-12-6-8-19(9-7-12)17(21)13-4-5-14(18)15(11-13)22-2/h4-5,11-12H,3,6-10H2,1-2H3
InChIKeyVXEWCNDLTHXFGI-UHFFFAOYSA-N
MW339.82 g/mol
LogP3.15
Rot. Bonds5

About ethyl 2-[1-(4-chloro-3-methoxybenzoyl)piperidin-4-yl]acetate

ethyl 2-[1-(4-chloro-3-methoxybenzoyl)piperidin-4-yl]acetate (PubChem CID 122156233) has the molecular formula C17H22ClNO4 and a molecular weight of 339.82 g/mol. Its IUPAC name is ethyl 2-[1-(4-chloro-3-methoxybenzoyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(4-chloro-3-methoxybenzoyl)piperidin-4-yl]acetate
PubChem CID122156233
Molecular FormulaC17H22ClNO4
Molecular Weight339.82 g/mol
Exact Mass339.12
IUPAC Nameethyl 2-[1-(4-chloro-3-methoxybenzoyl)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(C(=O)c2ccc(Cl)c(OC)c2)CC1
InChIInChI=1S/C17H22ClNO4/c1-3-23-16(20)10-12-6-8-19(9-7-12)17(21)13-4-5-14(18)15(11-13)22-2/h4-5,11-12H,3,6-10H2,1-2H3
InChIKeyVXEWCNDLTHXFGI-UHFFFAOYSA-N
XLogP3.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 80550753
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957769
2-[1-(3-hydroxy-4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 79672061
3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935184
(3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 54905693
(3-chloro-4,5-dimethoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957621
(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 55183162
[4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
CID 63195172
2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 119644854
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(4-chloro-3-methoxybenzoyl)piperidin-4-yl]acetate?
The IUPAC name of ethyl 2-[1-(4-chloro-3-methoxybenzoyl)piperidin-4-yl]acetate (CID 122156233) is ethyl 2-[1-(4-chloro-3-methoxybenzoyl)piperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(4-chloro-3-methoxybenzoyl)piperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-(4-chloro-3-methoxybenzoyl)piperidin-4-yl]acetate is CCOC(=O)CC1CCN(C(=O)c2ccc(Cl)c(OC)c2)CC1.
What is the InChIKey of ethyl 2-[1-(4-chloro-3-methoxybenzoyl)piperidin-4-yl]acetate?
The InChIKey is VXEWCNDLTHXFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO4/c1-3-23-16(20)10-12-6-8-19(9-7-12)17(21)13-4-5-14(18)15(11-13)22-2/h4-5,11-12H,3,6-10H2,1-2H3.
What are the key properties of ethyl 2-[1-(4-chloro-3-methoxybenzoyl)piperidin-4-yl]acetate?
ethyl 2-[1-(4-chloro-3-methoxybenzoyl)piperidin-4-yl]acetate has a molecular weight of 339.82 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(4-chloro-3-methoxybenzoyl)piperidin-4-yl]acetate is sourced from PubChem (CID 122156233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).