1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone

C15H28N2O2 — CID 115873988

IUPAC1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
SMILESCC1(O)CCCN(CC(=O)N2CCCCCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-15(19)8-7-9-16(13-15)12-14(18)17-10-5-3-2-4-6-11-17/h19H,2-13H2,1H3
InChIKeyKGGBJKNRNVJGJN-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.63
Rot. Bonds2

About 1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone

1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone (PubChem CID 115873988) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
PubChem CID115873988
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
SMILESCC1(O)CCCN(CC(=O)N2CCCCCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-15(19)8-7-9-16(13-15)12-14(18)17-10-5-3-2-4-6-11-17/h19H,2-13H2,1H3
InChIKeyKGGBJKNRNVJGJN-UHFFFAOYSA-N
XLogP1.63
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile
CID 131945394
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 103897872
1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone
CID 126790320
1-[2-(3-hydroxy-3-methylpiperidin-1-yl)acetyl]imidazolidin-2-one
CID 115873490
2-(2,2-dimethylmorpholin-4-yl)-1-piperidin-1-ylethanone
CID 70907050
1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]azepan-2-one
CID 115874722
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304923
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone
CID 107160703
2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 107407870
1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol
CID 115874131

Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone (CID 115873988) is 1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone is CC1(O)CCCN(CC(=O)N2CCCCCCC2)C1.
What is the InChIKey of 1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone?
The InChIKey is KGGBJKNRNVJGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(19)8-7-9-16(13-15)12-14(18)17-10-5-3-2-4-6-11-17/h19H,2-13H2,1H3.
What are the key properties of 1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone?
1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 115873988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).