[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate

C17H22N2O5 — CID 9197434

IUPAC[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O
InChIInChI=1S/C17H22N2O5/c1-2-23-14-9-4-3-7-12(14)17(22)24-11-15(20)19-10-6-5-8-13(19)16(18)21/h3-4,7,9,13H,2,5-6,8,10-11H2,1H3,(H2,18,21)/t13-/m1/s1
InChIKeyVWTYKQFZUNFIEA-CYBMUJFWSA-N
MW334.37 g/mol
LogP1.11
Rot. Bonds6

About [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate

[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate (PubChem CID 9197434) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate
PubChem CID9197434
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O
InChIInChI=1S/C17H22N2O5/c1-2-23-14-9-4-3-7-12(14)17(22)24-11-15(20)19-10-6-5-8-13(19)16(18)21/h3-4,7,9,13H,2,5-6,8,10-11H2,1H3,(H2,18,21)/t13-/m1/s1
InChIKeyVWTYKQFZUNFIEA-CYBMUJFWSA-N
XLogP1.11
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203413
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 8560350
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 9200420
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 9197839
1-[2-(2-ethoxyphenyl)-2-oxoethyl]piperidine-2-carboxamide
CID 62037237
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
CID 8808423
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 9200718
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 55317036
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate
CID 9009258
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,5-dichlorobenzoate
CID 9203023
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327333
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8633367

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate?
The IUPAC name of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate (CID 9197434) is [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O.
What is the InChIKey of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate?
The InChIKey is VWTYKQFZUNFIEA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-2-23-14-9-4-3-7-12(14)17(22)24-11-15(20)19-10-6-5-8-13(19)16(18)21/h3-4,7,9,13H,2,5-6,8,10-11H2,1H3,(H2,18,21)/t13-/m1/s1.
What are the key properties of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate?
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate has a molecular weight of 334.37 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate is sourced from PubChem (CID 9197434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).