methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate

C14H15Cl2NO3 — CID 115535683

IUPACmethyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H15Cl2NO3/c1-20-14(19)11-7-2-3-8-17(11)13(18)12-9(15)5-4-6-10(12)16/h4-6,11H,2-3,7-8H2,1H3
InChIKeyQXJAIGQEWVNWET-UHFFFAOYSA-N
MW316.18 g/mol
LogP3.16
Rot. Bonds2

About methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate

methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate (PubChem CID 115535683) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
PubChem CID115535683
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Namemethyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H15Cl2NO3/c1-20-14(19)11-7-2-3-8-17(11)13(18)12-9(15)5-4-6-10(12)16/h4-6,11H,2-3,7-8H2,1H3
InChIKeyQXJAIGQEWVNWET-UHFFFAOYSA-N
XLogP3.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535937
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
methyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80975676
methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 81002507
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 43410027
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
methyl (2R)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylate
CID 79833940
methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate
CID 79836137
methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate
CID 61377854

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate (CID 115535683) is methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate?
The InChIKey is QXJAIGQEWVNWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c1-20-14(19)11-7-2-3-8-17(11)13(18)12-9(15)5-4-6-10(12)16/h4-6,11H,2-3,7-8H2,1H3.
What are the key properties of methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate?
methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate has a molecular weight of 316.18 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 115535683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).