methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate

C15H26N2O3 — CID 115437510

IUPACmethyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)C1(CN)CCCCC1
InChIInChI=1S/C15H26N2O3/c1-20-13(18)12-7-3-6-10-17(12)14(19)15(11-16)8-4-2-5-9-15/h12H,2-11,16H2,1H3
InChIKeyAXSMFXZYJYPLQD-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.45
Rot. Bonds3

About methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate

methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate (PubChem CID 115437510) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate
PubChem CID115437510
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)C1(CN)CCCCC1
InChIInChI=1S/C15H26N2O3/c1-20-13(18)12-7-3-6-10-17(12)14(19)15(11-16)8-4-2-5-9-15/h12H,2-11,16H2,1H3
InChIKeyAXSMFXZYJYPLQD-UHFFFAOYSA-N
XLogP1.45
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

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Related Compounds

methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
CID 113311614
ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
CID 115448178
ethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate
CID 115439298
methyl 1-(1-carbamothioylcyclobutanecarbonyl)piperidine-2-carboxylate
CID 115534684
methyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate
CID 63128448
1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylic acid
CID 115439352
ethyl 1-(1-aminocyclohexanecarbonyl)piperidine-2-carboxylate
CID 60952886
methyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-2-carboxylate
CID 64551881
methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
CID 103737516
methyl 1-(7-oxabicyclo[4.1.0]heptane-1-carbonyl)pyrrolidine-2-carboxylate
CID 12629859
methyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate
CID 63128449
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate (CID 115437510) is methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)C1(CN)CCCCC1.
What is the InChIKey of methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate?
The InChIKey is AXSMFXZYJYPLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-20-13(18)12-7-3-6-10-17(12)14(19)15(11-16)8-4-2-5-9-15/h12H,2-11,16H2,1H3.
What are the key properties of methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate?
methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate is sourced from PubChem (CID 115437510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).