methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate

C15H20N2O3 — CID 61377854

IUPACmethyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate
SMILESCNc1ccccc1C(=O)N1CCCCC1C(=O)OC
InChIInChI=1S/C15H20N2O3/c1-16-12-8-4-3-7-11(12)14(18)17-10-6-5-9-13(17)15(19)20-2/h3-4,7-8,13,16H,5-6,9-10H2,1-2H3
InChIKeyWCAALOFDVJIYSV-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.90
Rot. Bonds3

About methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate

methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate (PubChem CID 61377854) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate
PubChem CID61377854
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate
SMILESCNc1ccccc1C(=O)N1CCCCC1C(=O)OC
InChIInChI=1S/C15H20N2O3/c1-16-12-8-4-3-7-11(12)14(18)17-10-6-5-9-13(17)15(19)20-2/h3-4,7-8,13,16H,5-6,9-10H2,1-2H3
InChIKeyWCAALOFDVJIYSV-UHFFFAOYSA-N
XLogP1.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
methyl 1-[2-(propan-2-ylamino)benzoyl]pyrrolidine-2-carboxylate
CID 63107678
methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate
CID 78925496
N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide
CID 61378639
methyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80975676
methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43423446
methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 81002507
methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280081
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 43410027
methyl (2R)-1-(pyridazine-4-carbonyl)piperidine-2-carboxylate
CID 103867070
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 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate (CID 61377854) is methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate is CNc1ccccc1C(=O)N1CCCCC1C(=O)OC.
What is the InChIKey of methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate?
The InChIKey is WCAALOFDVJIYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-16-12-8-4-3-7-11(12)14(18)17-10-6-5-9-13(17)15(19)20-2/h3-4,7-8,13,16H,5-6,9-10H2,1-2H3.
What are the key properties of methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate?
methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate is sourced from PubChem (CID 61377854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).