1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone

C13H24N2O2 — CID 129367078

IUPAC1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
SMILESO=C(CN1CCC[C@@H](O)C1)N1CCCCCC1
InChIInChI=1S/C13H24N2O2/c16-12-6-5-7-14(10-12)11-13(17)15-8-3-1-2-4-9-15/h12,16H,1-11H2/t12-/m1/s1
InChIKeyYKAFWSHVUHEDQJ-GFCCVEGCSA-N
MW240.35 g/mol
LogP0.85
Rot. Bonds2

About 1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone

1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone (PubChem CID 129367078) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
PubChem CID129367078
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
SMILESO=C(CN1CCC[C@@H](O)C1)N1CCCCCC1
InChIInChI=1S/C13H24N2O2/c16-12-6-5-7-14(10-12)11-13(17)15-8-3-1-2-4-9-15/h12,16H,1-11H2/t12-/m1/s1
InChIKeyYKAFWSHVUHEDQJ-GFCCVEGCSA-N
XLogP0.85
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107226024
2-(3-hydroxypiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 60645203
1-(azepan-1-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 78962281
1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62917489
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313
2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 63844591
1-(azepan-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119918785
methyl (3S)-1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-3-carboxylate
CID 79037659
2-(4-aminopiperidin-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107222871
2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 61205358
3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 107225668
1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 95862187

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone (CID 129367078) is 1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone is O=C(CN1CCC[C@@H](O)C1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone?
The InChIKey is YKAFWSHVUHEDQJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-12-6-5-7-14(10-12)11-13(17)15-8-3-1-2-4-9-15/h12,16H,1-11H2/t12-/m1/s1.
What are the key properties of 1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone?
1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone has a molecular weight of 240.35 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 129367078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).