tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane

C16H32N2O3 — CID 142306619

IUPACtert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane
SMILESCC1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1.CCC
InChIInChI=1S/C13H24N2O3.C3H8/c1-10-6-5-7-15(9-10)11(16)8-14-12(17)18-13(2,3)4;1-3-2/h10H,5-9H2,1-4H3,(H,14,17);3H2,1-2H3
InChIKeyWYAXVEJBVSGAGJ-UHFFFAOYSA-N
MW300.44 g/mol
LogP3.19
Rot. Bonds2

About tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane

tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane (PubChem CID 142306619) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane.

Molecular Properties

Compound Nametert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane
PubChem CID142306619
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane
SMILESCC1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1.CCC
InChIInChI=1S/C13H24N2O3.C3H8/c1-10-6-5-7-15(9-10)11(16)8-14-12(17)18-13(2,3)4;1-3-2/h10H,5-9H2,1-4H3,(H,14,17);3H2,1-2H3
InChIKeyWYAXVEJBVSGAGJ-UHFFFAOYSA-N
XLogP3.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane
CID 162388275
(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid
CID 139554798
tert-butyl N-[2-oxo-2-[3-(trifluoromethoxy)pyrrolidin-1-yl]ethyl]carbamate
CID 178127237
tert-butyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate;ethane;formic acid
CID 143037682
tert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate
CID 47736405
tert-butyl N-[4-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]butyl]carbamate
CID 110026921
tert-butyl (2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate
CID 95973096
tert-butyl N-[2-[(3R)-3-[[methyl-[(3S)-thiolan-3-yl]amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 100661998
1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone
CID 109005936
2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 93300981
methyl (2R)-3,3-dimethyl-2-[[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]butanoate
CID 97238732
[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl] hydrogen carbonate
CID 91309332

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane?
The IUPAC name of tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane (CID 142306619) is tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane.
What is the SMILES notation for tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane?
The canonical SMILES for tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane is CC1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1.CCC.
What is the InChIKey of tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane?
The InChIKey is WYAXVEJBVSGAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3.C3H8/c1-10-6-5-7-15(9-10)11(16)8-14-12(17)18-13(2,3)4;1-3-2/h10H,5-9H2,1-4H3,(H,14,17);3H2,1-2H3.
What are the key properties of tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane?
tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane has a molecular weight of 300.44 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane is sourced from PubChem (CID 142306619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).