tert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate

C17H33N3O2 — CID 107243370

IUPACtert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate
SMILESCN1CCCCC1CNCC1(NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C17H33N3O2/c1-16(2,3)22-15(21)19-17(9-7-10-17)13-18-12-14-8-5-6-11-20(14)4/h14,18H,5-13H2,1-4H3,(H,19,21)
InChIKeyGNOAJIPUKYJNSO-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.51
Rot. Bonds5

About tert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate

tert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate (PubChem CID 107243370) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is tert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate
PubChem CID107243370
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Nametert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate
SMILESCN1CCCCC1CNCC1(NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C17H33N3O2/c1-16(2,3)22-15(21)19-17(9-7-10-17)13-18-12-14-8-5-6-11-20(14)4/h14,18H,5-13H2,1-4H3,(H,19,21)
InChIKeyGNOAJIPUKYJNSO-UHFFFAOYSA-N
XLogP2.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
tert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate
CID 80560787
tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate
CID 134905805
tert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate
CID 107254396
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate
CID 169182679
tert-butyl N-[1-[[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]carbamate
CID 31863595
[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 81419235
tert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate
CID 107243335
tert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate
CID 107243295
5-[[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methylamino]methyl]furan-2-carboxylic acid
CID 107243225
tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
CID 10798106

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate (CID 107243370) is tert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate is CN1CCCCC1CNCC1(NC(=O)OC(C)(C)C)CCC1.
What is the InChIKey of tert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate?
The InChIKey is GNOAJIPUKYJNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-16(2,3)22-15(21)19-17(9-7-10-17)13-18-12-14-8-5-6-11-20(14)4/h14,18H,5-13H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate?
tert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate has a molecular weight of 311.47 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate is sourced from PubChem (CID 107243370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).