[1-(aminomethyl)cyclobutyl]-(3-ethoxypiperidin-1-yl)methanone

C13H24N2O2 — CID 80587348

IUPAC[1-(aminomethyl)cyclobutyl]-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)C2(CN)CCC2)C1
InChIInChI=1S/C13H24N2O2/c1-2-17-11-5-3-8-15(9-11)12(16)13(10-14)6-4-7-13/h11H,2-10,14H2,1H3
InChIKeySECYTDQIHXYQRZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.14
Rot. Bonds4

About [1-(aminomethyl)cyclobutyl]-(3-ethoxypiperidin-1-yl)methanone

[1-(aminomethyl)cyclobutyl]-(3-ethoxypiperidin-1-yl)methanone (PubChem CID 80587348) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(3-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(3-ethoxypiperidin-1-yl)methanone
PubChem CID80587348
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[1-(aminomethyl)cyclobutyl]-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)C2(CN)CCC2)C1
InChIInChI=1S/C13H24N2O2/c1-2-17-11-5-3-8-15(9-11)12(16)13(10-14)6-4-7-13/h11H,2-10,14H2,1H3
InChIKeySECYTDQIHXYQRZ-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone
CID 80587134
1-(3-ethoxypiperidine-1-carbonyl)cyclobutane-1-carbothioamide
CID 80588872
[1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone
CID 102957592
1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 76921633
1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76921686
[4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride
CID 120925164
[1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119874483
7-amino-1-(3-ethoxypiperidin-1-yl)heptan-1-one
CID 54990000
2-(1-aminocyclopentyl)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 64677827
[1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 94008212
(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid
CID 115444265
cyclobutyl-(3-ethoxypiperidin-1-yl)methanone
CID 46153649

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(3-ethoxypiperidin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(3-ethoxypiperidin-1-yl)methanone (CID 80587348) is [1-(aminomethyl)cyclobutyl]-(3-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(3-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(3-ethoxypiperidin-1-yl)methanone is CCOC1CCCN(C(=O)C2(CN)CCC2)C1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(3-ethoxypiperidin-1-yl)methanone?
The InChIKey is SECYTDQIHXYQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-17-11-5-3-8-15(9-11)12(16)13(10-14)6-4-7-13/h11H,2-10,14H2,1H3.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(3-ethoxypiperidin-1-yl)methanone?
[1-(aminomethyl)cyclobutyl]-(3-ethoxypiperidin-1-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(3-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 80587348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).