methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate

C16H19Cl2NO4 — CID 108731321

IUPACmethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)C(C)Oc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H19Cl2NO4/c1-10(23-14-6-5-12(17)8-13(14)18)15(20)19-7-3-4-11(9-19)16(21)22-2/h5-6,8,10-11H,3-4,7,9H2,1-2H3
InChIKeyCFXVKCZDPIWHSR-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.17
Rot. Bonds4

About methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate

methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate (PubChem CID 108731321) has the molecular formula C16H19Cl2NO4 and a molecular weight of 360.24 g/mol. Its IUPAC name is methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate
PubChem CID108731321
Molecular FormulaC16H19Cl2NO4
Molecular Weight360.24 g/mol
Exact Mass359.07
IUPAC Namemethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)C(C)Oc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H19Cl2NO4/c1-10(23-14-6-5-12(17)8-13(14)18)15(20)19-7-3-4-11(9-19)16(21)22-2/h5-6,8,10-11H,3-4,7,9H2,1-2H3
InChIKeyCFXVKCZDPIWHSR-UHFFFAOYSA-N
XLogP3.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 4252748
2-(2,4-dichlorophenoxy)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 60559245
methyl 1-[2-(2-chlorophenoxy)propanoyl]pyrrolidine-3-carboxylate
CID 112733832
2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66262423
ethyl 1-[2-(2-chloro-4-fluorophenoxy)propanoyl]piperidine-3-carboxylate
CID 86921483
1-[2-(2-chloro-4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 119167761
methyl (3S)-1-(2,4-dichlorobenzoyl)piperidine-3-carboxylate
CID 78919345
2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 62370957
2-(2,4-dichlorophenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 3717576
2-(4-chloro-2-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43390775
2-(2,4-dichlorophenoxy)-N-(pyrrolidine-1-carbothioyl)propanamide
CID 5191764
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 119517369

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate (CID 108731321) is methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)C(C)Oc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate?
The InChIKey is CFXVKCZDPIWHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO4/c1-10(23-14-6-5-12(17)8-13(14)18)15(20)19-7-3-4-11(9-19)16(21)22-2/h5-6,8,10-11H,3-4,7,9H2,1-2H3.
What are the key properties of methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate?
methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate has a molecular weight of 360.24 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 108731321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).