tert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate

C16H31N3O2 — CID 80560787

IUPACtert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate
SMILESCN1CCCCC1CNC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)18-13-9-12(10-13)17-11-14-7-5-6-8-19(14)4/h12-14,17H,5-11H2,1-4H3,(H,18,20)
InChIKeyMAWBXHHBYIFOQU-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.12
Rot. Bonds4

About tert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate

tert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate (PubChem CID 80560787) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate
PubChem CID80560787
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Nametert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate
SMILESCN1CCCCC1CNC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)18-13-9-12(10-13)17-11-14-7-5-6-8-19(14)4/h12-14,17H,5-11H2,1-4H3,(H,18,20)
InChIKeyMAWBXHHBYIFOQU-UHFFFAOYSA-N
XLogP2.12
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[(1-methylpyrrolidin-2-yl)methylamino]cyclohexyl]carbamate
CID 106024119
tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
tert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate
CID 107417431
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
CID 79461727
9-methyl-N-[(1-methylpiperidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470274
tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate
CID 103874776
tert-butyl N-[[2-[(1-methylpyrrolidin-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103947713
tert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 107243370
3,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]cyclohexan-1-amine
CID 64752221
tert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 106634012
tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate
CID 103720174

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate (CID 80560787) is tert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate is CN1CCCCC1CNC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate?
The InChIKey is MAWBXHHBYIFOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)18-13-9-12(10-13)17-11-14-7-5-6-8-19(14)4/h12-14,17H,5-11H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate?
tert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate has a molecular weight of 297.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate is sourced from PubChem (CID 80560787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).