ethyl 5-amino-2-(4-methoxypiperidin-1-yl)benzoate

C15H22N2O3 — CID 61305515

IUPACethyl 5-amino-2-(4-methoxypiperidin-1-yl)benzoate
SMILESCCOC(=O)c1cc(N)ccc1N1CCC(OC)CC1
InChIInChI=1S/C15H22N2O3/c1-3-20-15(18)13-10-11(16)4-5-14(13)17-8-6-12(19-2)7-9-17/h4-5,10,12H,3,6-9,16H2,1-2H3
InChIKeyWSUBNUPIPDUMLX-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.06
Rot. Bonds4

About ethyl 5-amino-2-(4-methoxypiperidin-1-yl)benzoate

ethyl 5-amino-2-(4-methoxypiperidin-1-yl)benzoate (PubChem CID 61305515) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 5-amino-2-(4-methoxypiperidin-1-yl)benzoate.

Molecular Properties

Compound Nameethyl 5-amino-2-(4-methoxypiperidin-1-yl)benzoate
PubChem CID61305515
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 5-amino-2-(4-methoxypiperidin-1-yl)benzoate
SMILESCCOC(=O)c1cc(N)ccc1N1CCC(OC)CC1
InChIInChI=1S/C15H22N2O3/c1-3-20-15(18)13-10-11(16)4-5-14(13)17-8-6-12(19-2)7-9-17/h4-5,10,12H,3,6-9,16H2,1-2H3
InChIKeyWSUBNUPIPDUMLX-UHFFFAOYSA-N
XLogP2.06
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze ethyl 5-amino-2-(4-methoxypiperidin-1-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-amino-3-chloro-2-(4-methoxypiperidin-1-yl)benzoate
CID 107193933
ethyl 5-amino-2-(4-hydroxy-4-methylazepan-1-yl)benzoate
CID 107407268
ethyl 5-amino-2-(7,7-dimethyl-1,4-thiazepan-4-yl)benzoate
CID 107458174
ethyl 5-amino-2-(2-oxopyrrolidin-1-yl)benzoate
CID 57245785
ethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate
CID 57185180
propyl 5-amino-2-(4-methylpiperazin-1-yl)benzoate
CID 56737132
methyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)benzoate
CID 62932235
5-amino-2-(4-propan-2-ylpiperidin-1-yl)benzoic acid
CID 12784702
ethyl 3-fluoro-4-(3-methoxypyrrolidin-1-yl)benzoate
CID 146335739
methyl 5-amino-2-(3-ethyl-4-methylpiperazin-1-yl)benzoate
CID 63604074
methyl 5-amino-2-[3-(hydroxymethyl)piperidin-1-yl]benzoate
CID 61311881
1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone
CID 43216546

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(4-methoxypiperidin-1-yl)benzoate?
The IUPAC name of ethyl 5-amino-2-(4-methoxypiperidin-1-yl)benzoate (CID 61305515) is ethyl 5-amino-2-(4-methoxypiperidin-1-yl)benzoate.
What is the SMILES notation for ethyl 5-amino-2-(4-methoxypiperidin-1-yl)benzoate?
The canonical SMILES for ethyl 5-amino-2-(4-methoxypiperidin-1-yl)benzoate is CCOC(=O)c1cc(N)ccc1N1CCC(OC)CC1.
What is the InChIKey of ethyl 5-amino-2-(4-methoxypiperidin-1-yl)benzoate?
The InChIKey is WSUBNUPIPDUMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-15(18)13-10-11(16)4-5-14(13)17-8-6-12(19-2)7-9-17/h4-5,10,12H,3,6-9,16H2,1-2H3.
What are the key properties of ethyl 5-amino-2-(4-methoxypiperidin-1-yl)benzoate?
ethyl 5-amino-2-(4-methoxypiperidin-1-yl)benzoate has a molecular weight of 278.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(4-methoxypiperidin-1-yl)benzoate is sourced from PubChem (CID 61305515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).