methyl 2-(1-acetylpiperidin-2-yl)-2-(3,4-dichlorophenyl)acetate

C16H19Cl2NO3 — CID 73309740

IUPACmethyl 2-(1-acetylpiperidin-2-yl)-2-(3,4-dichlorophenyl)acetate
SMILESCOC(=O)C(c1ccc(Cl)c(Cl)c1)C1CCCCN1C(C)=O
InChIInChI=1S/C16H19Cl2NO3/c1-10(20)19-8-4-3-5-14(19)15(16(21)22-2)11-6-7-12(17)13(18)9-11/h6-7,9,14-15H,3-5,8H2,1-2H3
InChIKeyUYMHOGDZNDKCRS-UHFFFAOYSA-N
MW344.24 g/mol
LogP3.65
Rot. Bonds3

About methyl 2-(1-acetylpiperidin-2-yl)-2-(3,4-dichlorophenyl)acetate

methyl 2-(1-acetylpiperidin-2-yl)-2-(3,4-dichlorophenyl)acetate (PubChem CID 73309740) has the molecular formula C16H19Cl2NO3 and a molecular weight of 344.24 g/mol. Its IUPAC name is methyl 2-(1-acetylpiperidin-2-yl)-2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-acetylpiperidin-2-yl)-2-(3,4-dichlorophenyl)acetate
PubChem CID73309740
Molecular FormulaC16H19Cl2NO3
Molecular Weight344.24 g/mol
Exact Mass343.07
IUPAC Namemethyl 2-(1-acetylpiperidin-2-yl)-2-(3,4-dichlorophenyl)acetate
SMILESCOC(=O)C(c1ccc(Cl)c(Cl)c1)C1CCCCN1C(C)=O
InChIInChI=1S/C16H19Cl2NO3/c1-10(20)19-8-4-3-5-14(19)15(16(21)22-2)11-6-7-12(17)13(18)9-11/h6-7,9,14-15H,3-5,8H2,1-2H3
InChIKeyUYMHOGDZNDKCRS-UHFFFAOYSA-N
XLogP3.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-acetylpiperidin-2-yl)-2-(3,4-dichlorophenyl)acetate?
The IUPAC name of methyl 2-(1-acetylpiperidin-2-yl)-2-(3,4-dichlorophenyl)acetate (CID 73309740) is methyl 2-(1-acetylpiperidin-2-yl)-2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for methyl 2-(1-acetylpiperidin-2-yl)-2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for methyl 2-(1-acetylpiperidin-2-yl)-2-(3,4-dichlorophenyl)acetate is COC(=O)C(c1ccc(Cl)c(Cl)c1)C1CCCCN1C(C)=O.
What is the InChIKey of methyl 2-(1-acetylpiperidin-2-yl)-2-(3,4-dichlorophenyl)acetate?
The InChIKey is UYMHOGDZNDKCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO3/c1-10(20)19-8-4-3-5-14(19)15(16(21)22-2)11-6-7-12(17)13(18)9-11/h6-7,9,14-15H,3-5,8H2,1-2H3.
What are the key properties of methyl 2-(1-acetylpiperidin-2-yl)-2-(3,4-dichlorophenyl)acetate?
methyl 2-(1-acetylpiperidin-2-yl)-2-(3,4-dichlorophenyl)acetate has a molecular weight of 344.24 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-acetylpiperidin-2-yl)-2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 73309740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).