2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone

C16H30N2O3 — CID 81172632

IUPAC2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone
SMILESCCOCCOC1CCN(C(=O)CC2(CN)CCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-2-20-10-11-21-14-4-8-18(9-5-14)15(19)12-16(13-17)6-3-7-16/h14H,2-13,17H2,1H3
InChIKeyUEDCAKAHGVAUNZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.55
Rot. Bonds8

About 2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone

2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone (PubChem CID 81172632) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone
PubChem CID81172632
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone
SMILESCCOCCOC1CCN(C(=O)CC2(CN)CCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-2-20-10-11-21-14-4-8-18(9-5-14)15(19)12-16(13-17)6-3-7-16/h14H,2-13,17H2,1H3
InChIKeyUEDCAKAHGVAUNZ-UHFFFAOYSA-N
XLogP1.55
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 104678575
2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid
CID 81169643
1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
CID 60775999
2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone
CID 104677563
4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one
CID 54872251
2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone
CID 64611799
2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone
CID 81172458
ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate
CID 60776132
2-(1-aminocyclopentyl)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 64679819
1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone
CID 79286410
2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 81167943
2-[1-(aminomethyl)cyclobutyl]-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone
CID 107219405

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone (CID 81172632) is 2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone is CCOCCOC1CCN(C(=O)CC2(CN)CCC2)CC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone?
The InChIKey is UEDCAKAHGVAUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-2-20-10-11-21-14-4-8-18(9-5-14)15(19)12-16(13-17)6-3-7-16/h14H,2-13,17H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone?
2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone has a molecular weight of 298.43 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 81172632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).