ethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate

C13H22N2O3 — CID 113312720

IUPACethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(CN)CC2)CC1
InChIInChI=1S/C13H22N2O3/c1-2-18-11(16)10-3-7-15(8-4-10)12(17)13(9-14)5-6-13/h10H,2-9,14H2,1H3
InChIKeyKUOJNEXJMHHSRT-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.53
Rot. Bonds4

About ethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate

ethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate (PubChem CID 113312720) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate
PubChem CID113312720
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nameethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(CN)CC2)CC1
InChIInChI=1S/C13H22N2O3/c1-2-18-11(16)10-3-7-15(8-4-10)12(17)13(9-14)5-6-13/h10H,2-9,14H2,1H3
InChIKeyKUOJNEXJMHHSRT-UHFFFAOYSA-N
XLogP0.53
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
CID 115448178
ethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate
CID 63138698
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
CID 22692245
ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate
CID 64550431
ethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate
CID 115439298
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
CID 46172885
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
ethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate
CID 108865828
[1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone
CID 80598636

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate (CID 113312720) is ethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2(CN)CC2)CC1.
What is the InChIKey of ethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate?
The InChIKey is KUOJNEXJMHHSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-18-11(16)10-3-7-15(8-4-10)12(17)13(9-14)5-6-13/h10H,2-9,14H2,1H3.
What are the key properties of ethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate?
ethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 113312720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).