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

C12H23N3O — CID 63840502

IUPAC2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide
SMILESCC1CCN(CC(=O)NC2CC2)C(CN)C1
InChIInChI=1S/C12H23N3O/c1-9-4-5-15(11(6-9)7-13)8-12(16)14-10-2-3-10/h9-11H,2-8,13H2,1H3,(H,14,16)
InChIKeyKOEGBUAMUKCMBK-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.32
Rot. Bonds4

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

2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide (PubChem CID 63840502) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide
PubChem CID63840502
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide
SMILESCC1CCN(CC(=O)NC2CC2)C(CN)C1
InChIInChI=1S/C12H23N3O/c1-9-4-5-15(11(6-9)7-13)8-12(16)14-10-2-3-10/h9-11H,2-8,13H2,1H3,(H,14,16)
InChIKeyKOEGBUAMUKCMBK-UHFFFAOYSA-N
XLogP0.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropylacetamide
CID 112622714
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 103442104
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide
CID 115963763
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3,5-difluorophenyl)acetamide
CID 103442124
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopentylacetamide
CID 63760691
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 63839894
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 63841061
2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119916027
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119926969
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 103441573
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 103441898
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 103441761

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide (CID 63840502) is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide is CC1CCN(CC(=O)NC2CC2)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide?
The InChIKey is KOEGBUAMUKCMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9-4-5-15(11(6-9)7-13)8-12(16)14-10-2-3-10/h9-11H,2-8,13H2,1H3,(H,14,16).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide?
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide has a molecular weight of 225.34 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 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-cyclopropylacetamide is sourced from PubChem (CID 63840502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).