methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate

C15H17Cl2NO3 — CID 115280064

IUPACmethyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2NO3/c1-21-15(20)13-4-2-3-7-18(13)14(19)8-10-5-6-11(16)9-12(10)17/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyWUOSRSSEWWWUJZ-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.09
Rot. Bonds3

About methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate

methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate (PubChem CID 115280064) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate
PubChem CID115280064
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Namemethyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2NO3/c1-21-15(20)13-4-2-3-7-18(13)14(19)8-10-5-6-11(16)9-12(10)17/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyWUOSRSSEWWWUJZ-UHFFFAOYSA-N
XLogP3.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate
CID 43423525
1-[2-(2,4-dichlorophenyl)acetyl]azepane-2-carboxylic acid
CID 64558807
methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate
CID 79835771
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 119434426
methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036
methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835759
methyl 1-[2-(4-chlorophenyl)sulfanylacetyl]pyrrolidine-2-carboxylate
CID 43409923
methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate
CID 115535987
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835955
methyl 1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylate
CID 78991759
2-(2,4-dichlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119648543

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate (CID 115280064) is methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate?
The InChIKey is WUOSRSSEWWWUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c1-21-15(20)13-4-2-3-7-18(13)14(19)8-10-5-6-11(16)9-12(10)17/h5-6,9,13H,2-4,7-8H2,1H3.
What are the key properties of methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate?
methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate has a molecular weight of 330.21 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 115280064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).