4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one

C11H22N2O2 — CID 102957567

IUPAC4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one
SMILESCOC1CCCN(C(=O)CCC(C)N)C1
InChIInChI=1S/C11H22N2O2/c1-9(12)5-6-11(14)13-7-3-4-10(8-13)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyCOBFVGZUSYWGCA-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds4

About 4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one

4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one (PubChem CID 102957567) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one
PubChem CID102957567
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one
SMILESCOC1CCCN(C(=O)CCC(C)N)C1
InChIInChI=1S/C11H22N2O2/c1-9(12)5-6-11(14)13-7-3-4-10(8-13)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyCOBFVGZUSYWGCA-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
CID 129412716
4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 103540685
1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone
CID 103809291
3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 102957596
2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride
CID 119729761
1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 120562628
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
(2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one
CID 129410228
4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride
CID 120565731
1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 102957641
1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione
CID 103533267

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one?
The IUPAC name of 4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one (CID 102957567) is 4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one?
The canonical SMILES for 4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one is COC1CCCN(C(=O)CCC(C)N)C1.
What is the InChIKey of 4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one?
The InChIKey is COBFVGZUSYWGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(12)5-6-11(14)13-7-3-4-10(8-13)15-2/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one?
4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 102957567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).