2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide

C13H25N3O — CID 63839894

IUPAC2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide
SMILESCC1CCN(CC(=O)N(C)C2CC2)C(CN)C1
InChIInChI=1S/C13H25N3O/c1-10-5-6-16(12(7-10)8-14)9-13(17)15(2)11-3-4-11/h10-12H,3-9,14H2,1-2H3
InChIKeyWHHPTOBEQBKFGU-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.67
Rot. Bonds4

About 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide

2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide (PubChem CID 63839894) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide
PubChem CID63839894
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide
SMILESCC1CCN(CC(=O)N(C)C2CC2)C(CN)C1
InChIInChI=1S/C13H25N3O/c1-10-5-6-16(12(7-10)8-14)9-13(17)15(2)11-3-4-11/h10-12H,3-9,14H2,1-2H3
InChIKeyWHHPTOBEQBKFGU-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide
CID 103441770
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 112622491
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 81493466
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide
CID 103441903
2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride
CID 119916251
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 102785072
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 115486348
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide
CID 63840502
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 103442053
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 103442062
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine
CID 63840214
2-(aminomethyl)-N,N,4-trimethylpiperidine-1-carboxamide
CID 103441346

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide (CID 63839894) is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide is CC1CCN(CC(=O)N(C)C2CC2)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide?
The InChIKey is WHHPTOBEQBKFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-5-6-16(12(7-10)8-14)9-13(17)15(2)11-3-4-11/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide?
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide has a molecular weight of 239.36 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)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 63839894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).