methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate

C14H15Cl2NO3 — CID 79833341

IUPACmethyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H15Cl2NO3/c1-20-14(19)12-4-2-3-5-17(12)13(18)9-6-10(15)8-11(16)7-9/h6-8,12H,2-5H2,1H3/t12-/m1/s1
InChIKeyHIRIYTFZUMNEJP-GFCCVEGCSA-N
MW316.18 g/mol
LogP3.16
Rot. Bonds2

About methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate

methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate (PubChem CID 79833341) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
PubChem CID79833341
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Namemethyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H15Cl2NO3/c1-20-14(19)12-4-2-3-5-17(12)13(18)9-6-10(15)8-11(16)7-9/h6-8,12H,2-5H2,1H3/t12-/m1/s1
InChIKeyHIRIYTFZUMNEJP-GFCCVEGCSA-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 (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
CID 80975441
methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate
CID 115280018
methyl (2R)-1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 79835988
methyl 1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 63188918
methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 43410150
ethyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
CID 80997012
methyl (2R)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylate
CID 79833940
methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
methyl (2R)-1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535937
methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535683

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate (CID 79833341) is methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate?
The InChIKey is HIRIYTFZUMNEJP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c1-20-14(19)12-4-2-3-5-17(12)13(18)9-6-10(15)8-11(16)7-9/h6-8,12H,2-5H2,1H3/t12-/m1/s1.
What are the key properties of methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate?
methyl (2R)-1-(3,5-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 (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 79833341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).