tert-butyl N-[(1-acetyl-5,6-dimethylpiperidin-2-yl)methyl]carbamate

C15H28N2O3 — CID 126829008

IUPACtert-butyl N-[(1-acetyl-5,6-dimethylpiperidin-2-yl)methyl]carbamate
SMILESCC(=O)N1C(CNC(=O)OC(C)(C)C)CCC(C)C1C
InChIInChI=1S/C15H28N2O3/c1-10-7-8-13(17(11(10)2)12(3)18)9-16-14(19)20-15(4,5)6/h10-11,13H,7-9H2,1-6H3,(H,16,19)
InChIKeyWYDOGYQBWQZHHR-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.55
Rot. Bonds2

About tert-butyl N-[(1-acetyl-5,6-dimethylpiperidin-2-yl)methyl]carbamate

tert-butyl N-[(1-acetyl-5,6-dimethylpiperidin-2-yl)methyl]carbamate (PubChem CID 126829008) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[(1-acetyl-5,6-dimethylpiperidin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-acetyl-5,6-dimethylpiperidin-2-yl)methyl]carbamate
PubChem CID126829008
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[(1-acetyl-5,6-dimethylpiperidin-2-yl)methyl]carbamate
SMILESCC(=O)N1C(CNC(=O)OC(C)(C)C)CCC(C)C1C
InChIInChI=1S/C15H28N2O3/c1-10-7-8-13(17(11(10)2)12(3)18)9-16-14(19)20-15(4,5)6/h10-11,13H,7-9H2,1-6H3,(H,16,19)
InChIKeyWYDOGYQBWQZHHR-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[1-(3-amino-3-oxopropanoyl)-5,6-dimethylpiperidin-2-yl]methyl]carbamate
CID 126841777
tert-butyl (2R,5S)-2-(cyanomethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidine-1-carboxylate
CID 11131600
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
tert-butyl N-[[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]methyl]carbamate
CID 118016875
tert-butyl N-[[(2S)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]methyl]carbamate
CID 122525492
tert-butyl N-[(1-acetylpyrrolidin-3-yl)methyl]carbamate
CID 86648179
tert-butyl (2R,5R)-5-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate
CID 134827916
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
tert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate
CID 143403345
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-acetyl-5,6-dimethylpiperidin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-acetyl-5,6-dimethylpiperidin-2-yl)methyl]carbamate (CID 126829008) is tert-butyl N-[(1-acetyl-5,6-dimethylpiperidin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-acetyl-5,6-dimethylpiperidin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-acetyl-5,6-dimethylpiperidin-2-yl)methyl]carbamate is CC(=O)N1C(CNC(=O)OC(C)(C)C)CCC(C)C1C.
What is the InChIKey of tert-butyl N-[(1-acetyl-5,6-dimethylpiperidin-2-yl)methyl]carbamate?
The InChIKey is WYDOGYQBWQZHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10-7-8-13(17(11(10)2)12(3)18)9-16-14(19)20-15(4,5)6/h10-11,13H,7-9H2,1-6H3,(H,16,19).
What are the key properties of tert-butyl N-[(1-acetyl-5,6-dimethylpiperidin-2-yl)methyl]carbamate?
tert-butyl N-[(1-acetyl-5,6-dimethylpiperidin-2-yl)methyl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-acetyl-5,6-dimethylpiperidin-2-yl)methyl]carbamate is sourced from PubChem (CID 126829008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).