methyl 2-[acetyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate

C18H24N2O4 — CID 113131207

IUPACmethyl 2-[acetyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(CCC(=O)N1CCCCC1)C(C)=O
InChIInChI=1S/C18H24N2O4/c1-14(21)20(13-10-17(22)19-11-6-3-7-12-19)16-9-5-4-8-15(16)18(23)24-2/h4-5,8-9H,3,6-7,10-13H2,1-2H3
InChIKeyNERSIRWMDQNJQP-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.23
Rot. Bonds5

About methyl 2-[acetyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate

methyl 2-[acetyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate (PubChem CID 113131207) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl 2-[acetyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[acetyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate
PubChem CID113131207
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Namemethyl 2-[acetyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(CCC(=O)N1CCCCC1)C(C)=O
InChIInChI=1S/C18H24N2O4/c1-14(21)20(13-10-17(22)19-11-6-3-7-12-19)16-9-5-4-8-15(16)18(23)24-2/h4-5,8-9H,3,6-7,10-13H2,1-2H3
InChIKeyNERSIRWMDQNJQP-UHFFFAOYSA-N
XLogP2.23
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 113129221
N-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 113134658
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylacetamide
CID 113123338
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide
CID 113135398
methyl 2-[[3-(4-acetamidoanilino)-3-oxopropyl]-acetylamino]benzoate
CID 113131308
methyl 2-[acetyl-(4-ethoxy-4-oxobutyl)amino]benzoate
CID 139237456
N-(2,4-difluorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 113133399
methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate
CID 113061870
methyl 2-[azepane-1-carbonyl(methyl)amino]benzoate
CID 79157661
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113134403
methyl 2-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate
CID 113176088
methyl 2-[acetyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]benzoate
CID 113176076

Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate?
The IUPAC name of methyl 2-[acetyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate (CID 113131207) is methyl 2-[acetyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate.
What is the SMILES notation for methyl 2-[acetyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate?
The canonical SMILES for methyl 2-[acetyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate is COC(=O)c1ccccc1N(CCC(=O)N1CCCCC1)C(C)=O.
What is the InChIKey of methyl 2-[acetyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate?
The InChIKey is NERSIRWMDQNJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-14(21)20(13-10-17(22)19-11-6-3-7-12-19)16-9-5-4-8-15(16)18(23)24-2/h4-5,8-9H,3,6-7,10-13H2,1-2H3.
What are the key properties of methyl 2-[acetyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate?
methyl 2-[acetyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate has a molecular weight of 332.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[acetyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate is sourced from PubChem (CID 113131207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).