ethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate

C15H26N2O3 — CID 64824198

IUPACethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C1CCCCC1N
InChIInChI=1S/C15H26N2O3/c1-2-20-15(19)13-9-5-6-10-17(13)14(18)11-7-3-4-8-12(11)16/h11-13H,2-10,16H2,1H3
InChIKeyGBQOVWUXUZCAPE-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.45
Rot. Bonds3

About ethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate

ethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate (PubChem CID 64824198) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is ethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate
PubChem CID64824198
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nameethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C1CCCCC1N
InChIInChI=1S/C15H26N2O3/c1-2-20-15(19)13-9-5-6-10-17(13)14(18)11-7-3-4-8-12(11)16/h11-13H,2-10,16H2,1H3
InChIKeyGBQOVWUXUZCAPE-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

2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978462
ethyl 4-(2-aminocyclohexanecarbonyl)thiomorpholine-3-carboxylate
CID 64824562
ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate
CID 79002856
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 78958335
1-(2-aminocyclopentanecarbonyl)-N-methylpiperidine-2-carboxamide
CID 64824181
ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate
CID 81128745
ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate
CID 121255112
CID 59417753
CID 59417753
(2-aminocyclohexyl)-(2-methylpiperidin-1-yl)methanone
CID 62775944
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate (CID 64824198) is ethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)C1CCCCC1N.
What is the InChIKey of ethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate?
The InChIKey is GBQOVWUXUZCAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-20-15(19)13-9-5-6-10-17(13)14(18)11-7-3-4-8-12(11)16/h11-13H,2-10,16H2,1H3.
What are the key properties of ethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate?
ethyl 1-(2-aminocyclohexanecarbonyl)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 ethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 64824198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).