methyl (2R)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylate

C13H16Cl2N2O3 — CID 79833940

IUPACmethyl (2R)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C13H16Cl2N2O3/c1-16-10(7-8(14)11(16)15)12(18)17-6-4-3-5-9(17)13(19)20-2/h7,9H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyRYRINJBLACDFNR-SECBINFHSA-N
MW319.19 g/mol
LogP2.50
Rot. Bonds2

About methyl (2R)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylate

methyl (2R)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylate (PubChem CID 79833940) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is methyl (2R)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylate
PubChem CID79833940
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Namemethyl (2R)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C13H16Cl2N2O3/c1-16-10(7-8(14)11(16)15)12(18)17-6-4-3-5-9(17)13(19)20-2/h7,9H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyRYRINJBLACDFNR-SECBINFHSA-N
XLogP2.50
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 43356010
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341
methyl 1-(4-chloro-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 43410189
methyl (2R)-1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535937
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535683
methyl (2S)-1-(3-chloro-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 139728189
methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036
methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
CID 80975441
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
(4,5-dichloro-1-methylpyrrol-2-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95301333
methyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
CID 79834097

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylate (CID 79833940) is methyl (2R)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)c1cc(Cl)c(Cl)n1C.
What is the InChIKey of methyl (2R)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylate?
The InChIKey is RYRINJBLACDFNR-SECBINFHSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-16-10(7-8(14)11(16)15)12(18)17-6-4-3-5-9(17)13(19)20-2/h7,9H,3-6H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylate?
methyl (2R)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylate has a molecular weight of 319.19 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 79833940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).