methyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate

C17H21Cl2NO3 — CID 60520938

IUPACmethyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H21Cl2NO3/c1-23-17(22)11-14-4-2-3-9-20(14)16(21)8-6-12-5-7-13(18)10-15(12)19/h5,7,10,14H,2-4,6,8-9,11H2,1H3
InChIKeyBXSPXUCQSUMYED-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.87
Rot. Bonds5

About methyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate

methyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate (PubChem CID 60520938) has the molecular formula C17H21Cl2NO3 and a molecular weight of 358.27 g/mol. Its IUPAC name is methyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate
PubChem CID60520938
Molecular FormulaC17H21Cl2NO3
Molecular Weight358.27 g/mol
Exact Mass357.09
IUPAC Namemethyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H21Cl2NO3/c1-23-17(22)11-14-4-2-3-9-20(14)16(21)8-6-12-5-7-13(18)10-15(12)19/h5,7,10,14H,2-4,6,8-9,11H2,1H3
InChIKeyBXSPXUCQSUMYED-UHFFFAOYSA-N
XLogP3.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate (CID 60520938) is methyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate?
The InChIKey is BXSPXUCQSUMYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2NO3/c1-23-17(22)11-14-4-2-3-9-20(14)16(21)8-6-12-5-7-13(18)10-15(12)19/h5,7,10,14H,2-4,6,8-9,11H2,1H3.
What are the key properties of methyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate?
methyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate has a molecular weight of 358.27 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate is sourced from PubChem (CID 60520938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).