methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate

C15H18ClNO3 — CID 80975441

IUPACmethyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C15H18ClNO3/c1-10-7-11(9-12(16)8-10)14(18)17-6-4-3-5-13(17)15(19)20-2/h7-9,13H,3-6H2,1-2H3
InChIKeyRZCNBKCLPYMRCZ-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.82
Rot. Bonds2

About methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate

methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate (PubChem CID 80975441) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
PubChem CID80975441
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Namemethyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C15H18ClNO3/c1-10-7-11(9-12(16)8-10)14(18)17-6-4-3-5-13(17)15(19)20-2/h7-9,13H,3-6H2,1-2H3
InChIKeyRZCNBKCLPYMRCZ-UHFFFAOYSA-N
XLogP2.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
ethyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
CID 80997012
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
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
(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 71025506
methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 43410150
(3-chloro-5-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635898
[2-(chloromethyl)azepan-1-yl]-(3-chloro-5-methylphenyl)methanone
CID 116639152
methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate (CID 80975441) is methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1cc(C)cc(Cl)c1.
What is the InChIKey of methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate?
The InChIKey is RZCNBKCLPYMRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-10-7-11(9-12(16)8-10)14(18)17-6-4-3-5-13(17)15(19)20-2/h7-9,13H,3-6H2,1-2H3.
What are the key properties of methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate?
methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate has a molecular weight of 295.77 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 80975441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).