ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate

C16H24N2O3 — CID 43761080

IUPACethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(C)ccc2OC)CC1
InChIInChI=1S/C16H24N2O3/c1-4-21-16(19)18-9-7-13(8-10-18)17-14-11-12(2)5-6-15(14)20-3/h5-6,11,13,17H,4,7-10H2,1-3H3
InChIKeyYHSAAPIEOMMICQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.04
Rot. Bonds4

About ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate

ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate (PubChem CID 43761080) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate
PubChem CID43761080
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(C)ccc2OC)CC1
InChIInChI=1S/C16H24N2O3/c1-4-21-16(19)18-9-7-13(8-10-18)17-14-11-12(2)5-6-15(14)20-3/h5-6,11,13,17H,4,7-10H2,1-3H3
InChIKeyYHSAAPIEOMMICQ-UHFFFAOYSA-N
XLogP3.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-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 4-[[5-(2-methoxy-5-methylanilino)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112956979
ethyl 4-(3-methoxy-2-nitroanilino)piperidine-1-carboxylate
CID 69177022
ethyl 4-[2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109138972
ethyl 4-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8932092
ethyl 4-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003652
2-methylpropyl 4-(2-amino-5-methylanilino)piperidine-1-carboxylate
CID 69132792
ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028829
ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
CID 43758190
ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate
CID 79768815
(3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone
CID 3373464
ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate
CID 43780824
ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate
CID 89064489

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate (CID 43761080) is ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cc(C)ccc2OC)CC1.
What is the InChIKey of ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate?
The InChIKey is YHSAAPIEOMMICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-21-16(19)18-9-7-13(8-10-18)17-14-11-12(2)5-6-15(14)20-3/h5-6,11,13,17H,4,7-10H2,1-3H3.
What are the key properties of ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate?
ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate is sourced from PubChem (CID 43761080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).