ethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate

C15H26N2O4 — CID 115439298

IUPACethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C1(CN)CCOCC1
InChIInChI=1S/C15H26N2O4/c1-2-21-13(18)12-5-3-4-8-17(12)14(19)15(11-16)6-9-20-10-7-15/h12H,2-11,16H2,1H3
InChIKeyXTRGZYJRPGMOFI-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.69
Rot. Bonds4

About ethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate

ethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate (PubChem CID 115439298) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is ethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate
PubChem CID115439298
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nameethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C1(CN)CCOCC1
InChIInChI=1S/C15H26N2O4/c1-2-21-13(18)12-5-3-4-8-17(12)14(19)15(11-16)6-9-20-10-7-15/h12H,2-11,16H2,1H3
InChIKeyXTRGZYJRPGMOFI-UHFFFAOYSA-N
XLogP0.69
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
CID 115448178
1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylic acid
CID 115439352
ethyl 1-(1-aminocyclohexanecarbonyl)piperidine-2-carboxylate
CID 60952886
methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
CID 113311614
methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate
CID 115437510
ethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate
CID 113312720
[4-(aminomethyl)oxan-4-yl]-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 115439257
[1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 115447990
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate
CID 79002856
[4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride
CID 120925164
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate (CID 115439298) is ethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)C1(CN)CCOCC1.
What is the InChIKey of ethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate?
The InChIKey is XTRGZYJRPGMOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-21-13(18)12-5-3-4-8-17(12)14(19)15(11-16)6-9-20-10-7-15/h12H,2-11,16H2,1H3.
What are the key properties of ethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate?
ethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate is sourced from PubChem (CID 115439298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).