[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate

C18H24N2O4 — CID 7842559

IUPAC[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
SMILESCC[C@H]1CCCCN1C(=O)COC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C18H24N2O4/c1-3-16-9-4-5-10-20(16)17(22)12-24-18(23)14-7-6-8-15(11-14)19-13(2)21/h6-8,11,16H,3-5,9-10,12H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyOLPUXNJSEALDFY-INIZCTEOSA-N
MW332.40 g/mol
LogP2.59
Rot. Bonds5

About [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate

[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate (PubChem CID 7842559) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate.

Molecular Properties

Compound Name[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
PubChem CID7842559
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
SMILESCC[C@H]1CCCCN1C(=O)COC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C18H24N2O4/c1-3-16-9-4-5-10-20(16)17(22)12-24-18(23)14-7-6-8-15(11-14)19-13(2)21/h6-8,11,16H,3-5,9-10,12H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyOLPUXNJSEALDFY-INIZCTEOSA-N
XLogP2.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 2582023
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108952246
[2-(azocan-1-yl)-2-oxoethyl] 3-acetamidobenzoate
CID 17397284
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
CID 7203935
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 55319011
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8520965
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 18080459
N-(3-acetylphenyl)-2-ethylpiperidine-1-carbothioamide
CID 19654734
N-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108966674
[2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 4829050
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxybenzoate
CID 2371514
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate?
The IUPAC name of [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate (CID 7842559) is [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate.
What is the SMILES notation for [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate?
The canonical SMILES for [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate is CC[C@H]1CCCCN1C(=O)COC(=O)c1cccc(NC(C)=O)c1.
What is the InChIKey of [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate?
The InChIKey is OLPUXNJSEALDFY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-16-9-4-5-10-20(16)17(22)12-24-18(23)14-7-6-8-15(11-14)19-13(2)21/h6-8,11,16H,3-5,9-10,12H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate?
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate has a molecular weight of 332.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate is sourced from PubChem (CID 7842559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).