2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide

C12H25N3O — CID 43186946

IUPAC2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CCCC(CN)C1
InChIInChI=1S/C12H25N3O/c1-12(2,3)14-11(16)9-15-6-4-5-10(7-13)8-15/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyZOHIWJBBYGWYLQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds3

About 2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide

2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide (PubChem CID 43186946) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide
PubChem CID43186946
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CCCC(CN)C1
InChIInChI=1S/C12H25N3O/c1-12(2,3)14-11(16)9-15-6-4-5-10(7-13)8-15/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyZOHIWJBBYGWYLQ-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one
CID 129494683
2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide
CID 81492142
2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119915605
2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopentylacetamide;hydrochloride
CID 119915633
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119915902
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 129367244
N-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide
CID 95716250
N-(tert-butylcarbamoyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 62357321
2-(azepan-1-yl)-N-tert-butylacetamide
CID 18877375
N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119922204
2-(4-aminopiperidin-1-yl)-N-tert-butylacetamide;dihydrochloride
CID 56773517
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 94209171

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide (CID 43186946) is 2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide is CC(C)(C)NC(=O)CN1CCCC(CN)C1.
What is the InChIKey of 2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide?
The InChIKey is ZOHIWJBBYGWYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2,3)14-11(16)9-15-6-4-5-10(7-13)8-15/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of 2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide?
2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide is sourced from PubChem (CID 43186946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).