2-[1-(aminomethyl)cyclobutyl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide

C16H31N3O — CID 81172973

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCN(CCCNC(=O)CC2(CN)CCC2)CC1
InChIInChI=1S/C16H31N3O/c1-14-4-10-19(11-5-14)9-3-8-18-15(20)12-16(13-17)6-2-7-16/h14H,2-13,17H2,1H3,(H,18,20)
InChIKeyPLFKXERAFGSVCA-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.74
Rot. Bonds7

About 2-[1-(aminomethyl)cyclobutyl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide

2-[1-(aminomethyl)cyclobutyl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 81172973) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
PubChem CID81172973
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCN(CCCNC(=O)CC2(CN)CCC2)CC1
InChIInChI=1S/C16H31N3O/c1-14-4-10-19(11-5-14)9-3-8-18-15(20)12-16(13-17)6-2-7-16/h14H,2-13,17H2,1H3,(H,18,20)
InChIKeyPLFKXERAFGSVCA-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[2-(azepan-1-yl)ethyl]acetamide
CID 81171786
2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide
CID 81171928
2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 63679463
2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
CID 104677967
1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852388
2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
CID 81179908
2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide
CID 81168821
2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 61265469
2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide
CID 83110025
N-[3-(4-methylpiperidin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604980
2-[1-(aminomethyl)cyclohexyl]-N-[3-(methanesulfonamido)propyl]acetamide
CID 104844350
ethyl 4-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]butanoate
CID 81168194

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide (CID 81172973) is 2-[1-(aminomethyl)cyclobutyl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide is CC1CCN(CCCNC(=O)CC2(CN)CCC2)CC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is PLFKXERAFGSVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-14-4-10-19(11-5-14)9-3-8-18-15(20)12-16(13-17)6-2-7-16/h14H,2-13,17H2,1H3,(H,18,20).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 81172973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).