ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate

C15H20N2O3 — CID 104913687

IUPACethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)[C@H]1CCCCN1
InChIInChI=1S/C15H20N2O3/c1-2-20-15(19)11-7-3-4-8-12(11)17-14(18)13-9-5-6-10-16-13/h3-4,7-8,13,16H,2,5-6,9-10H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyGPHILOMLIJBSGQ-CYBMUJFWSA-N
MW276.34 g/mol
LogP1.94
Rot. Bonds4

About ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate

ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate (PubChem CID 104913687) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate
PubChem CID104913687
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)[C@H]1CCCCN1
InChIInChI=1S/C15H20N2O3/c1-2-20-15(19)11-7-3-4-8-12(11)17-14(18)13-9-5-6-10-16-13/h3-4,7-8,13,16H,2,5-6,9-10H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyGPHILOMLIJBSGQ-CYBMUJFWSA-N
XLogP1.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetylphenyl)piperidine-2-carboxamide
CID 110462300
ethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate
CID 107067999
N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide
CID 64563598
N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide
CID 64563985
ethyl 4-(azepane-2-carbonylamino)benzoate
CID 64564434
N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
ethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate
CID 60717312
N-[2-(butan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 18072900
N-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 18071622
N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide
CID 64563986
(2R)-N-[2-[(dimethylamino)methyl]phenyl]piperidine-2-carboxamide
CID 104912781

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate (CID 104913687) is ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)[C@H]1CCCCN1.
What is the InChIKey of ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate?
The InChIKey is GPHILOMLIJBSGQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-20-15(19)11-7-3-4-8-12(11)17-14(18)13-9-5-6-10-16-13/h3-4,7-8,13,16H,2,5-6,9-10H2,1H3,(H,17,18)/t13-/m1/s1.
What are the key properties of ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate?
ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate has a molecular weight of 276.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 104913687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).