ethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate

C15H20N2O4 — CID 107074308

IUPACethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc(N)c(O)c2)C1
InChIInChI=1S/C15H20N2O4/c1-2-21-15(20)11-4-3-7-17(9-11)14(19)10-5-6-12(16)13(18)8-10/h5-6,8,11,18H,2-4,7,9,16H2,1H3
InChIKeyDFEHNZXXLRJYIZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.39
Rot. Bonds3

About ethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate

ethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate (PubChem CID 107074308) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is ethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate
PubChem CID107074308
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Nameethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc(N)c(O)c2)C1
InChIInChI=1S/C15H20N2O4/c1-2-21-15(20)11-4-3-7-17(9-11)14(19)10-5-6-12(16)13(18)8-10/h5-6,8,11,18H,2-4,7,9,16H2,1H3
InChIKeyDFEHNZXXLRJYIZ-UHFFFAOYSA-N
XLogP1.39
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788
ethyl 1-(4-tert-butylbenzoyl)piperidine-3-carboxylate
CID 3436669
ethyl (3S)-1-(4-chloro-3-fluorobenzoyl)piperidine-3-carboxylate
CID 103876654
ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-3-carboxylate
CID 25163445
ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate
CID 94014630
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3S)-1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidine-3-carboxylate
CID 94041930
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate
CID 2385973
ethyl 1-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperidine-3-carboxylate
CID 47016940
ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate
CID 43404461

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate (CID 107074308) is ethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2ccc(N)c(O)c2)C1.
What is the InChIKey of ethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate?
The InChIKey is DFEHNZXXLRJYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-21-15(20)11-4-3-7-17(9-11)14(19)10-5-6-12(16)13(18)8-10/h5-6,8,11,18H,2-4,7,9,16H2,1H3.
What are the key properties of ethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate?
ethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 107074308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).