6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one

C15H23N3O2 — CID 156533558

IUPAC6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(N2CCCCCC2)[nH]1
InChIInChI=1S/C15H23N3O2/c19-15-12-13(17-7-9-20-10-8-17)11-14(16-15)18-5-3-1-2-4-6-18/h11-12H,1-10H2,(H,16,19)
InChIKeyYXENMJOMGWYPHV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.59
Rot. Bonds2

About 6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one

6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 156533558) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one
PubChem CID156533558
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(N2CCCCCC2)[nH]1
InChIInChI=1S/C15H23N3O2/c19-15-12-13(17-7-9-20-10-8-17)11-14(16-15)18-5-3-1-2-4-6-18/h11-12H,1-10H2,(H,16,19)
InChIKeyYXENMJOMGWYPHV-UHFFFAOYSA-N
XLogP1.59
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one (CID 156533558) is 6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one is O=c1cc(N2CCOCC2)cc(N2CCCCCC2)[nH]1.
What is the InChIKey of 6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one?
The InChIKey is YXENMJOMGWYPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-15-12-13(17-7-9-20-10-8-17)11-14(16-15)18-5-3-1-2-4-6-18/h11-12H,1-10H2,(H,16,19).
What are the key properties of 6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one?
6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 277.37 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 156533558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).