methyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-2-carboxylate

C15H26N2O3 — CID 64551881

IUPACmethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C15H26N2O3/c1-11-6-5-8-15(16,10-11)14(19)17-9-4-3-7-12(17)13(18)20-2/h11-12H,3-10,16H2,1-2H3
InChIKeyGRKHHBPJFFGMAF-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.45
Rot. Bonds2

About methyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-2-carboxylate

methyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-2-carboxylate (PubChem CID 64551881) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-2-carboxylate
PubChem CID64551881
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C15H26N2O3/c1-11-6-5-8-15(16,10-11)14(19)17-9-4-3-7-12(17)13(18)20-2/h11-12H,3-10,16H2,1-2H3
InChIKeyGRKHHBPJFFGMAF-UHFFFAOYSA-N
XLogP1.45
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-(1-amino-3-methylcyclohexanecarbonyl)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

(1-amino-3-methylcyclohexyl)-(2-ethylazepan-1-yl)methanone
CID 104689695
(1-amino-3-methylcyclohexyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 64548999
ethyl 1-(1-aminocyclohexanecarbonyl)piperidine-2-carboxylate
CID 60952886
methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
CID 113311614
methyl 1-(1-carbamothioylcyclobutanecarbonyl)piperidine-2-carboxylate
CID 115534684
methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate
CID 115437510
trans-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311018
trans-methyl (1S,3R)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311019
ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate
CID 64550431
methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate
CID 176940576
methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
CID 103737516
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-2-carboxylate (CID 64551881) is methyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)C1(N)CCCC(C)C1.
What is the InChIKey of methyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-2-carboxylate?
The InChIKey is GRKHHBPJFFGMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-6-5-8-15(16,10-11)14(19)17-9-4-3-7-12(17)13(18)20-2/h11-12H,3-10,16H2,1-2H3.
What are the key properties of methyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-2-carboxylate?
methyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-2-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 64551881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).