ethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate

C15H29N3O2 — CID 79636962

IUPACethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCCC(N2CCN(C)CC2)C1
InChIInChI=1S/C15H29N3O2/c1-4-20-14(19)15(16-2)7-5-6-13(12-15)18-10-8-17(3)9-11-18/h13,16H,4-12H2,1-3H3
InChIKeyAKAZSPRKENBIOB-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.70
Rot. Bonds4

About ethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate

ethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate (PubChem CID 79636962) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is ethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate
PubChem CID79636962
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Nameethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCCC(N2CCN(C)CC2)C1
InChIInChI=1S/C15H29N3O2/c1-4-20-14(19)15(16-2)7-5-6-13(12-15)18-10-8-17(3)9-11-18/h13,16H,4-12H2,1-3H3
InChIKeyAKAZSPRKENBIOB-UHFFFAOYSA-N
XLogP0.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)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-pyrrolidin-1-ylcyclopentane-1-carboxylate
CID 79649541
ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate
CID 79645136
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-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 102966602
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
1-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79636971
ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate
CID 79628675
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-(ethylamino)-3-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79637046

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate (CID 79636962) is ethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate is CCOC(=O)C1(NC)CCCC(N2CCN(C)CC2)C1.
What is the InChIKey of ethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate?
The InChIKey is AKAZSPRKENBIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-20-14(19)15(16-2)7-5-6-13(12-15)18-10-8-17(3)9-11-18/h13,16H,4-12H2,1-3H3.
What are the key properties of ethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate?
ethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate has a molecular weight of 283.42 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 79636962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).