[1-(aminomethyl)-3-methylcyclobutyl]-(4-methoxypiperidin-1-yl)methanone

C13H24N2O2 — CID 80588739

IUPAC[1-(aminomethyl)-3-methylcyclobutyl]-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)C2(CN)CC(C)C2)CC1
InChIInChI=1S/C13H24N2O2/c1-10-7-13(8-10,9-14)12(16)15-5-3-11(17-2)4-6-15/h10-11H,3-9,14H2,1-2H3
InChIKeyMVUXDBXBXPTHEB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.00
Rot. Bonds3

About [1-(aminomethyl)-3-methylcyclobutyl]-(4-methoxypiperidin-1-yl)methanone

[1-(aminomethyl)-3-methylcyclobutyl]-(4-methoxypiperidin-1-yl)methanone (PubChem CID 80588739) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclobutyl]-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclobutyl]-(4-methoxypiperidin-1-yl)methanone
PubChem CID80588739
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[1-(aminomethyl)-3-methylcyclobutyl]-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)C2(CN)CC(C)C2)CC1
InChIInChI=1S/C13H24N2O2/c1-10-7-13(8-10,9-14)12(16)15-5-3-11(17-2)4-6-15/h10-11H,3-9,14H2,1-2H3
InChIKeyMVUXDBXBXPTHEB-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 115441480
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 80588732
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 80587778
[1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone
CID 80587278
[1-(aminomethyl)-3-methylcyclobutyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 80598306
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 80598312
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 113310414
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 80588160
[1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82015373
[1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone
CID 102957592
[1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355744
[1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 115442204

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-(4-methoxypiperidin-1-yl)methanone (CID 80588739) is [1-(aminomethyl)-3-methylcyclobutyl]-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclobutyl]-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclobutyl]-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)C2(CN)CC(C)C2)CC1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclobutyl]-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is MVUXDBXBXPTHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-7-13(8-10,9-14)12(16)15-5-3-11(17-2)4-6-15/h10-11H,3-9,14H2,1-2H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclobutyl]-(4-methoxypiperidin-1-yl)methanone?
[1-(aminomethyl)-3-methylcyclobutyl]-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclobutyl]-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 80588739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).