methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate

C15H20N2O3 — CID 43774274

IUPACmethyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate
SMILESCOC(=O)c1ccc(NC2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C15H20N2O3/c1-11(18)17-9-7-14(8-10-17)16-13-5-3-12(4-6-13)15(19)20-2/h3-6,14,16H,7-10H2,1-2H3
InChIKeyGXRMZKGDBPVOFT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.90
Rot. Bonds3

About methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate

methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate (PubChem CID 43774274) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate
PubChem CID43774274
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate
SMILESCOC(=O)c1ccc(NC2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C15H20N2O3/c1-11(18)17-9-7-14(8-10-17)16-13-5-3-12(4-6-13)15(19)20-2/h3-6,14,16H,7-10H2,1-2H3
InChIKeyGXRMZKGDBPVOFT-UHFFFAOYSA-N
XLogP1.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
CID 43774308
1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205
methyl 4-[(1-methoxypyrrolidin-3-yl)amino]benzoate
CID 162523165
4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide
CID 43787652
ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate
CID 43774396
ethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate
CID 43321731
1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone
CID 43779000
1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone
CID 103825805
1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone
CID 62810559
1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone
CID 43764958
methyl 4-[(3R)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]benzoate
CID 25275922
4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid
CID 166692462

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate?
The IUPAC name of methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate (CID 43774274) is methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate.
What is the SMILES notation for methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate?
The canonical SMILES for methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate is COC(=O)c1ccc(NC2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate?
The InChIKey is GXRMZKGDBPVOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(18)17-9-7-14(8-10-17)16-13-5-3-12(4-6-13)15(19)20-2/h3-6,14,16H,7-10H2,1-2H3.
What are the key properties of methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate?
methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate has a molecular weight of 276.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate is sourced from PubChem (CID 43774274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).