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

C12H23N3O2 — CID 112622714

IUPAC2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropylacetamide
SMILESCOC1CCN(CC(=O)NC2CC2)C(CN)C1
InChIInChI=1S/C12H23N3O2/c1-17-11-4-5-15(10(6-11)7-13)8-12(16)14-9-2-3-9/h9-11H,2-8,13H2,1H3,(H,14,16)
InChIKeyOAXWZPXDRYXCRF-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.30
Rot. Bonds5

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

2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropylacetamide (PubChem CID 112622714) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropylacetamide
PubChem CID112622714
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropylacetamide
SMILESCOC1CCN(CC(=O)NC2CC2)C(CN)C1
InChIInChI=1S/C12H23N3O2/c1-17-11-4-5-15(10(6-11)7-13)8-12(16)14-9-2-3-9/h9-11H,2-8,13H2,1H3,(H,14,16)
InChIKeyOAXWZPXDRYXCRF-UHFFFAOYSA-N
XLogP-0.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide
CID 115963763
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide
CID 63840502
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide
CID 112622625
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 112622666
methyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate
CID 112622716
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 115963714
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone
CID 112622497
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 112622491
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 115963601
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopentylacetamide
CID 63760691
(4-methoxy-1-nonylpiperidin-2-yl)methanamine
CID 112622577
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
CID 112622267

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropylacetamide (CID 112622714) is 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropylacetamide is COC1CCN(CC(=O)NC2CC2)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropylacetamide?
The InChIKey is OAXWZPXDRYXCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-17-11-4-5-15(10(6-11)7-13)8-12(16)14-9-2-3-9/h9-11H,2-8,13H2,1H3,(H,14,16).
What are the key properties of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropylacetamide?
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropylacetamide has a molecular weight of 241.33 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 112622714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).