ethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate

C16H22N2O3 — CID 107067999

IUPACethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1NCCCC1C
InChIInChI=1S/C16H22N2O3/c1-3-21-16(20)12-8-4-5-9-13(12)18-15(19)14-11(2)7-6-10-17-14/h4-5,8-9,11,14,17H,3,6-7,10H2,1-2H3,(H,18,19)
InChIKeyOPFFMXLMSQPJQJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.19
Rot. Bonds4

About ethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate

ethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate (PubChem CID 107067999) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate
PubChem CID107067999
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1NCCCC1C
InChIInChI=1S/C16H22N2O3/c1-3-21-16(20)12-8-4-5-9-13(12)18-15(19)14-11(2)7-6-10-17-14/h4-5,8-9,11,14,17H,3,6-7,10H2,1-2H3,(H,18,19)
InChIKeyOPFFMXLMSQPJQJ-UHFFFAOYSA-N
XLogP2.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate
CID 104913687
methyl 5-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]benzoate
CID 107067304
ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63714826
ethyl 2-(oxane-4-carbonylamino)benzoate
CID 30790941
ethyl 2-[[(1R,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]benzoate
CID 6952567
N-(4-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 55060316
ethyl 2-(cyclopentylcarbamoylamino)benzoate
CID 110755189
ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729067
3-methyl-N-(2-propylphenyl)pyrrolidine-2-carboxamide
CID 102777801
ethyl 2-(cycloheptylcarbamoylamino)benzoate
CID 108990696
5-iodo-2-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107068158
N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102776806

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate (CID 107067999) is ethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C1NCCCC1C.
What is the InChIKey of ethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate?
The InChIKey is OPFFMXLMSQPJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-21-16(20)12-8-4-5-9-13(12)18-15(19)14-11(2)7-6-10-17-14/h4-5,8-9,11,14,17H,3,6-7,10H2,1-2H3,(H,18,19).
What are the key properties of ethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate?
ethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate has a molecular weight of 290.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 107067999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).