ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate

C16H22N2O3 — CID 61290033

IUPACethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1cc(N)ccc1C
InChIInChI=1S/C16H22N2O3/c1-3-21-16(20)14-6-4-5-9-18(14)15(19)13-10-12(17)8-7-11(13)2/h7-8,10,14H,3-6,9,17H2,1-2H3
InChIKeyNLKQHQLFBQTVFM-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.14
Rot. Bonds3

About ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate

ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate (PubChem CID 61290033) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
PubChem CID61290033
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1cc(N)ccc1C
InChIInChI=1S/C16H22N2O3/c1-3-21-16(20)14-6-4-5-9-18(14)15(19)13-10-12(17)8-7-11(13)2/h7-8,10,14H,3-6,9,17H2,1-2H3
InChIKeyNLKQHQLFBQTVFM-UHFFFAOYSA-N
XLogP2.14
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate 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 1-(4-aminobenzoyl)piperidine-2-carboxylate
CID 43648283
1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 120622455
ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80997011
ethyl 1-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 75925808
ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate
CID 43648357
ethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate
CID 124574664
ethyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 71431618
ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 21255125
ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate
CID 78915855
ethyl 1-(2-bromo-3-methylbenzoyl)pyrrolidine-2-carboxylate
CID 103913410
ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
CID 60724197
(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride
CID 120637115

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate (CID 61290033) is ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)c1cc(N)ccc1C.
What is the InChIKey of ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate?
The InChIKey is NLKQHQLFBQTVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-21-16(20)14-6-4-5-9-18(14)15(19)13-10-12(17)8-7-11(13)2/h7-8,10,14H,3-6,9,17H2,1-2H3.
What are the key properties of ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate?
ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 61290033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).