1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one

C15H22N2O3 — CID 79800104

IUPAC1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one
SMILESCC(Oc1ccc(CO)nc1)C(=O)N1CCCCCC1
InChIInChI=1S/C15H22N2O3/c1-12(15(19)17-8-4-2-3-5-9-17)20-14-7-6-13(11-18)16-10-14/h6-7,10,12,18H,2-5,8-9,11H2,1H3
InChIKeyLCPIXBBCNNCTBU-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.74
Rot. Bonds4

About 1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one

1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one (PubChem CID 79800104) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one
PubChem CID79800104
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one
SMILESCC(Oc1ccc(CO)nc1)C(=O)N1CCCCCC1
InChIInChI=1S/C15H22N2O3/c1-12(15(19)17-8-4-2-3-5-9-17)20-14-7-6-13(11-18)16-10-14/h6-7,10,12,18H,2-5,8-9,11H2,1H3
InChIKeyLCPIXBBCNNCTBU-UHFFFAOYSA-N
XLogP1.74
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-1-(azepan-1-yl)propan-1-one
CID 79790443
5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid
CID 79794863
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one
CID 79781284
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-1-piperidin-1-ylethanone
CID 79800097
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-methylpropanamide
CID 79799827
2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112787311
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
N-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide
CID 79800191
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112788400
1-(azepan-1-yl)-2-(4-methylsulfanylphenoxy)propan-1-one
CID 86909547

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one (CID 79800104) is 1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one is CC(Oc1ccc(CO)nc1)C(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one?
The InChIKey is LCPIXBBCNNCTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12(15(19)17-8-4-2-3-5-9-17)20-14-7-6-13(11-18)16-10-14/h6-7,10,12,18H,2-5,8-9,11H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one?
1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one has a molecular weight of 278.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one is sourced from PubChem (CID 79800104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).