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

C16H19Cl2NO4 — CID 2940357

IUPACmethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(C)Oc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H19Cl2NO4/c1-10(23-14-4-3-12(17)9-13(14)18)15(20)19-7-5-11(6-8-19)16(21)22-2/h3-4,9-11H,5-8H2,1-2H3
InChIKeyDDQUJCKBYFAYMM-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.17
Rot. Bonds4

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

methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-4-carboxylate (PubChem CID 2940357) 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-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-4-carboxylate
PubChem CID2940357
Molecular FormulaC16H19Cl2NO4
Molecular Weight360.24 g/mol
Exact Mass359.07
IUPAC Namemethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(C)Oc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H19Cl2NO4/c1-10(23-14-4-3-12(17)9-13(14)18)15(20)19-7-5-11(6-8-19)16(21)22-2/h3-4,9-11H,5-8H2,1-2H3
InChIKeyDDQUJCKBYFAYMM-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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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-4-carboxylate (CID 2940357) is methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C(C)Oc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-4-carboxylate?
The InChIKey is DDQUJCKBYFAYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO4/c1-10(23-14-4-3-12(17)9-13(14)18)15(20)19-7-5-11(6-8-19)16(21)22-2/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-4-carboxylate?
methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-4-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-4-carboxylate is sourced from PubChem (CID 2940357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).