2-[1-(aminomethyl)cyclobutyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C16H31N3O — CID 81172967

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)CC2(CN)CCC2)CC(C)(C)N1
InChIInChI=1S/C16H31N3O/c1-14(2)8-12(9-15(3,4)19-14)18-13(20)10-16(11-17)6-5-7-16/h12,19H,5-11,17H2,1-4H3,(H,18,20)
InChIKeyNCMFBTYYUPSNAL-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.93
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 81172967) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID81172967
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)CC2(CN)CCC2)CC(C)(C)N1
InChIInChI=1S/C16H31N3O/c1-14(2)8-12(9-15(3,4)19-14)18-13(20)10-16(11-17)6-5-7-16/h12,19H,5-11,17H2,1-4H3,(H,18,20)
InChIKeyNCMFBTYYUPSNAL-UHFFFAOYSA-N
XLogP1.93
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide
CID 104677352
2-[1-(aminomethyl)cyclobutyl]-N-(4-methylsulfanylcyclohexyl)acetamide
CID 114123049
3-hydrazinyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 14745324
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125431018
N-methylmethanamine;N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 68908972
N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104678121
2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide
CID 114123170
2-[1-(aminomethyl)cyclobutyl]-N-(1,1-dioxothian-3-yl)acetamide
CID 81168499
ethane;N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 178170769
3-methyl-4-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
CID 123799217
2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethoxy]acetic acid
CID 61328036
5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanoic acid
CID 3133160

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 81172967) is 2-[1-(aminomethyl)cyclobutyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CC1(C)CC(NC(=O)CC2(CN)CCC2)CC(C)(C)N1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is NCMFBTYYUPSNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-14(2)8-12(9-15(3,4)19-14)18-13(20)10-16(11-17)6-5-7-16/h12,19H,5-11,17H2,1-4H3,(H,18,20).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 81172967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).