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

C15H19NO3 — CID 51076028

IUPACmethyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cccc(C)c1
InChIInChI=1S/C15H19NO3/c1-11-6-5-7-12(10-11)14(17)16-9-4-3-8-13(16)15(18)19-2/h5-7,10,13H,3-4,8-9H2,1-2H3
InChIKeyZYYJLQNZBNEWFY-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.16
Rot. Bonds2

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

methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate (PubChem CID 51076028) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
PubChem CID51076028
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cccc(C)c1
InChIInChI=1S/C15H19NO3/c1-11-6-5-7-12(10-11)14(17)16-9-4-3-8-13(16)15(18)19-2/h5-7,10,13H,3-4,8-9H2,1-2H3
InChIKeyZYYJLQNZBNEWFY-UHFFFAOYSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate
CID 134039327
methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate
CID 79836137
methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
CID 103957429
methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
CID 80975441
[1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357636
methyl 1-[3-[[(2S)-2-aminopropanoyl]amino]benzoyl]piperidine-2-carboxylate
CID 119322240
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
CID 115535703
methyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate
CID 113257736

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate (CID 51076028) is methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1cccc(C)c1.
What is the InChIKey of methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate?
The InChIKey is ZYYJLQNZBNEWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-6-5-7-12(10-11)14(17)16-9-4-3-8-13(16)15(18)19-2/h5-7,10,13H,3-4,8-9H2,1-2H3.
What are the key properties of methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate?
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 51076028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).