ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate

C12H23N3O3 — CID 112544185

IUPACethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(CC)CN(CC(N)=O)C1
InChIInChI=1S/C12H23N3O3/c1-3-9-5-10(14-12(17)18-4-2)7-15(6-9)8-11(13)16/h9-10H,3-8H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyAEAUOINQNNKYGZ-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.32
Rot. Bonds5

About ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate

ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate (PubChem CID 112544185) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate
PubChem CID112544185
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Nameethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(CC)CN(CC(N)=O)C1
InChIInChI=1S/C12H23N3O3/c1-3-9-5-10(14-12(17)18-4-2)7-15(6-9)8-11(13)16/h9-10H,3-8H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyAEAUOINQNNKYGZ-UHFFFAOYSA-N
XLogP0.32
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544049
ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate
CID 112543729
2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 112544134
2-[1-(2-amino-2-oxoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetic acid
CID 112543553
ethyl N-(1,5-dipropylpiperidin-3-yl)carbamate
CID 112543689
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112544828
methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543582
ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate
CID 112543731
ethyl 2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetate
CID 83991946
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2-hydroxybutyl)piperidin-3-yl]carbamate
CID 112544838
methyl 2-[1-(cyanomethyl)-5-(ethoxycarbonylamino)piperidin-3-yl]acetate
CID 112544170
ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544061

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate (CID 112544185) is ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate is CCOC(=O)NC1CC(CC)CN(CC(N)=O)C1.
What is the InChIKey of ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate?
The InChIKey is AEAUOINQNNKYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-9-5-10(14-12(17)18-4-2)7-15(6-9)8-11(13)16/h9-10H,3-8H2,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate?
ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate has a molecular weight of 257.33 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112544185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).