ethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate

C16H30N2O3 — CID 102966602

IUPACethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCCC(N2CCCC(OC)C2)C1
InChIInChI=1S/C16H30N2O3/c1-4-21-15(19)16(17-2)9-5-7-13(11-16)18-10-6-8-14(12-18)20-3/h13-14,17H,4-12H2,1-3H3
InChIKeyKPJDBNVWZROIJZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.56
Rot. Bonds5

About ethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate

ethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate (PubChem CID 102966602) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is ethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
PubChem CID102966602
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nameethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCCC(N2CCCC(OC)C2)C1
InChIInChI=1S/C16H30N2O3/c1-4-21-15(19)16(17-2)9-5-7-13(11-16)18-10-6-8-14(12-18)20-3/h13-14,17H,4-12H2,1-3H3
InChIKeyKPJDBNVWZROIJZ-UHFFFAOYSA-N
XLogP1.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-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 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate
CID 79636962
ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate
CID 79649541
ethyl 3-(2,6-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79626926
ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636107
ethyl 3-(2-ethylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79636182
ethyl 1-(methylamino)-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylate
CID 79637035
ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate
CID 79628675
ethyl 3-(3-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79628499
ethyl 3-(3,3-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79627679
ethyl 1-(methylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carboxylate
CID 79634253
1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651259
ethyl 3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79641995

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate (CID 102966602) is ethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate is CCOC(=O)C1(NC)CCCC(N2CCCC(OC)C2)C1.
What is the InChIKey of ethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate?
The InChIKey is KPJDBNVWZROIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-21-15(19)16(17-2)9-5-7-13(11-16)18-10-6-8-14(12-18)20-3/h13-14,17H,4-12H2,1-3H3.
What are the key properties of ethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate?
ethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 102966602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).