2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide

C12H25N3O — CID 43186999

IUPAC2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CN1CCCCC1CN
InChIInChI=1S/C12H25N3O/c1-10(2)14(3)12(16)9-15-7-5-4-6-11(15)8-13/h10-11H,4-9,13H2,1-3H3
InChIKeyOSCIUJGBSWUMJX-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.67
Rot. Bonds4

About 2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide

2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 43186999) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID43186999
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CN1CCCCC1CN
InChIInChI=1S/C12H25N3O/c1-10(2)14(3)12(16)9-15-7-5-4-6-11(15)8-13/h10-11H,4-9,13H2,1-3H3
InChIKeyOSCIUJGBSWUMJX-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899773
2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 114338856
2-[2-(aminomethyl)pyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119926999
2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride
CID 119916251
methyl 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetate
CID 62027896
2-[2-(aminomethyl)piperidin-1-yl]-N,N-diethylacetamide;hydrochloride
CID 120869605
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide;hydrochloride
CID 119916209
N-methyl-2-[2-[1-(methylamino)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 63854674
2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 110898913
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63760499
2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63853649
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 81493466

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide (CID 43186999) is 2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CN1CCCCC1CN.
What is the InChIKey of 2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is OSCIUJGBSWUMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(2)14(3)12(16)9-15-7-5-4-6-11(15)8-13/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide?
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 227.35 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 43186999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).