methyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate

C15H17Cl2NO3 — CID 78919018

IUPACmethyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C15H17Cl2NO3/c1-21-15(20)10-4-3-7-18(9-10)14(19)8-11-12(16)5-2-6-13(11)17/h2,5-6,10H,3-4,7-9H2,1H3
InChIKeyJREBCWPOUXEJLY-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.95
Rot. Bonds3

About methyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate

methyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate (PubChem CID 78919018) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is methyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate
PubChem CID78919018
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Namemethyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C15H17Cl2NO3/c1-21-15(20)10-4-3-7-18(9-10)14(19)8-11-12(16)5-2-6-13(11)17/h2,5-6,10H,3-4,7-9H2,1H3
InChIKeyJREBCWPOUXEJLY-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[2-(2,6-dichlorophenyl)acetyl]pyrrolidine-3-carboxylate
CID 112733652
1-[2-(2-chloro-6-methoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 120684308
methyl 1-[2-(2-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919146
methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 78919144
methyl (3S)-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919538
2-(2,6-dichlorophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62357455
methyl 1-(2-benzylsulfanylacetyl)piperidine-3-carboxylate
CID 78918834
methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate
CID 112733766
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
2-(2-chloro-6-fluorophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119493667
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547
methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 108731344

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate (CID 78919018) is methyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of methyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate?
The InChIKey is JREBCWPOUXEJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c1-21-15(20)10-4-3-7-18(9-10)14(19)8-11-12(16)5-2-6-13(11)17/h2,5-6,10H,3-4,7-9H2,1H3.
What are the key properties of methyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate?
methyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate has a molecular weight of 330.21 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 78919018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).