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

C16H31N3O2 — CID 115963763

IUPAC2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide
SMILESCOC1CCN(CC(=O)NC2CCCCCC2)C(CN)C1
InChIInChI=1S/C16H31N3O2/c1-21-15-8-9-19(14(10-15)11-17)12-16(20)18-13-6-4-2-3-5-7-13/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeyFXDNJJIHYSMDER-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.26
Rot. Bonds5

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

2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide (PubChem CID 115963763) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide
PubChem CID115963763
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide
SMILESCOC1CCN(CC(=O)NC2CCCCCC2)C(CN)C1
InChIInChI=1S/C16H31N3O2/c1-21-15-8-9-19(14(10-15)11-17)12-16(20)18-13-6-4-2-3-5-7-13/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeyFXDNJJIHYSMDER-UHFFFAOYSA-N
XLogP1.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropylacetamide
CID 112622714
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone
CID 112622497
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide
CID 112622625
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)pyrrolidin-1-yl]-N-cyclopentylacetamide
CID 63760691
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 112622666
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide
CID 63840502
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]-N-cyclopropyl-N-methylacetamide
CID 112622491
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 115963601

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide (CID 115963763) is 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide is COC1CCN(CC(=O)NC2CCCCCC2)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide?
The InChIKey is FXDNJJIHYSMDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-21-15-8-9-19(14(10-15)11-17)12-16(20)18-13-6-4-2-3-5-7-13/h13-15H,2-12,17H2,1H3,(H,18,20).
What are the key properties of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide?
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide has a molecular weight of 297.44 g/mol, XLogP of 1.26, 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-cycloheptylacetamide is sourced from PubChem (CID 115963763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).