tert-butyl N-[1-(2-aminoacetyl)piperidin-3-yl]-N-ethylcarbamate

C14H27N3O3 — CID 66566208

IUPACtert-butyl N-[1-(2-aminoacetyl)piperidin-3-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C1CCCN(C(=O)CN)C1
InChIInChI=1S/C14H27N3O3/c1-5-17(13(19)20-14(2,3)4)11-7-6-8-16(10-11)12(18)9-15/h11H,5-10,15H2,1-4H3
InChIKeyYBNKGLNUNYOZAN-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.19
Rot. Bonds3

About tert-butyl N-[1-(2-aminoacetyl)piperidin-3-yl]-N-ethylcarbamate

tert-butyl N-[1-(2-aminoacetyl)piperidin-3-yl]-N-ethylcarbamate (PubChem CID 66566208) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl N-[1-(2-aminoacetyl)piperidin-3-yl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-aminoacetyl)piperidin-3-yl]-N-ethylcarbamate
PubChem CID66566208
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl N-[1-(2-aminoacetyl)piperidin-3-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C1CCCN(C(=O)CN)C1
InChIInChI=1S/C14H27N3O3/c1-5-17(13(19)20-14(2,3)4)11-7-6-8-16(10-11)12(18)9-15/h11H,5-10,15H2,1-4H3
InChIKeyYBNKGLNUNYOZAN-UHFFFAOYSA-N
XLogP1.19
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid
CID 67045293
tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 66566243
tert-butyl N-[[(3S)-1-(2-aminoacetyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 96553670
tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 66566198
tert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566153
tert-butyl 3-[[(Z)-2-amino-3-sulfanylprop-2-enoyl]-ethylamino]piperidine-1-carboxylate
CID 168890437
2-amino-1-[3-[butyl(ethyl)amino]piperidin-1-yl]ethanone
CID 84755574
tert-butyl N-ethyl-N-[1-[4-(thiaziridin-2-yl)phenyl]pyrrolidin-3-yl]carbamate
CID 143125201
benzyl N-[1-(2-chloroacetyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566616
4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid
CID 91152983
tert-butyl N-(1-azabicyclo[3.1.0]hexan-2-yl)-N-ethylcarbamate
CID 91167317
ethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 124907567

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-aminoacetyl)piperidin-3-yl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[1-(2-aminoacetyl)piperidin-3-yl]-N-ethylcarbamate (CID 66566208) is tert-butyl N-[1-(2-aminoacetyl)piperidin-3-yl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(2-aminoacetyl)piperidin-3-yl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[1-(2-aminoacetyl)piperidin-3-yl]-N-ethylcarbamate is CCN(C(=O)OC(C)(C)C)C1CCCN(C(=O)CN)C1.
What is the InChIKey of tert-butyl N-[1-(2-aminoacetyl)piperidin-3-yl]-N-ethylcarbamate?
The InChIKey is YBNKGLNUNYOZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-17(13(19)20-14(2,3)4)11-7-6-8-16(10-11)12(18)9-15/h11H,5-10,15H2,1-4H3.
What are the key properties of tert-butyl N-[1-(2-aminoacetyl)piperidin-3-yl]-N-ethylcarbamate?
tert-butyl N-[1-(2-aminoacetyl)piperidin-3-yl]-N-ethylcarbamate has a molecular weight of 285.39 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-aminoacetyl)piperidin-3-yl]-N-ethylcarbamate is sourced from PubChem (CID 66566208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).