2-[4-(aminomethyl)piperidin-1-yl]-N-(1-methylcyclobutyl)acetamide

C13H25N3O — CID 170153169

IUPAC2-[4-(aminomethyl)piperidin-1-yl]-N-(1-methylcyclobutyl)acetamide
SMILESCC1(NC(=O)CN2CCC(CN)CC2)CCC1
InChIInChI=1S/C13H25N3O/c1-13(5-2-6-13)15-12(17)10-16-7-3-11(9-14)4-8-16/h11H,2-10,14H2,1H3,(H,15,17)
InChIKeyNUGJFVPIWGZQNK-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.72
Rot. Bonds4

About 2-[4-(aminomethyl)piperidin-1-yl]-N-(1-methylcyclobutyl)acetamide

2-[4-(aminomethyl)piperidin-1-yl]-N-(1-methylcyclobutyl)acetamide (PubChem CID 170153169) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-N-(1-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]-N-(1-methylcyclobutyl)acetamide
PubChem CID170153169
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]-N-(1-methylcyclobutyl)acetamide
SMILESCC1(NC(=O)CN2CCC(CN)CC2)CCC1
InChIInChI=1S/C13H25N3O/c1-13(5-2-6-13)15-12(17)10-16-7-3-11(9-14)4-8-16/h11H,2-10,14H2,1H3,(H,15,17)
InChIKeyNUGJFVPIWGZQNK-UHFFFAOYSA-N
XLogP0.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492407
N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide
CID 62062013
4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide
CID 104963781
2-[4-(aminomethyl)piperidin-1-yl]-1-cyclopentylethanone;hydrochloride
CID 146676030
N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 47281127
N-(1-methylcyclobutyl)propanamide
CID 115766065
2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119909444
N-(1,4-dimethylpiperidin-4-yl)-2-morpholin-4-ylacetamide
CID 142326973
2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 102977313
2-[4-(aminomethyl)piperidin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 68550086
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 55030660
2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119909747

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-(1-methylcyclobutyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-(1-methylcyclobutyl)acetamide (CID 170153169) is 2-[4-(aminomethyl)piperidin-1-yl]-N-(1-methylcyclobutyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-N-(1-methylcyclobutyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-N-(1-methylcyclobutyl)acetamide is CC1(NC(=O)CN2CCC(CN)CC2)CCC1.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-N-(1-methylcyclobutyl)acetamide?
The InChIKey is NUGJFVPIWGZQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(5-2-6-13)15-12(17)10-16-7-3-11(9-14)4-8-16/h11H,2-10,14H2,1H3,(H,15,17).
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-N-(1-methylcyclobutyl)acetamide?
2-[4-(aminomethyl)piperidin-1-yl]-N-(1-methylcyclobutyl)acetamide has a molecular weight of 239.36 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperidin-1-yl]-N-(1-methylcyclobutyl)acetamide is sourced from PubChem (CID 170153169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).