(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone

C12H22N2O2 — CID 106586736

IUPAC(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)C2(N)CCC2)C1
InChIInChI=1S/C12H22N2O2/c1-16-9-10-4-2-7-14(8-10)11(15)12(13)5-3-6-12/h10H,2-9,13H2,1H3
InChIKeyJNCDZMMGMDSLNL-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.75
Rot. Bonds3

About (1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone

(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 106586736) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID106586736
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)C2(N)CCC2)C1
InChIInChI=1S/C12H22N2O2/c1-16-9-10-4-2-7-14(8-10)11(15)12(13)5-3-6-12/h10H,2-9,13H2,1H3
InChIKeyJNCDZMMGMDSLNL-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid
CID 65466458
(1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119338489
N'-hydroxy-1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboximidamide
CID 106588198
1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 106586857
(1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 119807799
2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 143842263
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide
CID 119301801
(1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222967
(1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875759
[3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119781751
2-(cyclopropylmethylamino)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119781761

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone (CID 106586736) is (1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCCN(C(=O)C2(N)CCC2)C1.
What is the InChIKey of (1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is JNCDZMMGMDSLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-9-10-4-2-7-14(8-10)11(15)12(13)5-3-6-12/h10H,2-9,13H2,1H3.
What are the key properties of (1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106586736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).