5-(azepan-1-yl)-1-(4-oxo-4-piperazin-1-ylbutyl)pyridin-2-one

C19H30N4O2 — CID 39147721

IUPAC5-(azepan-1-yl)-1-(4-oxo-4-piperazin-1-ylbutyl)pyridin-2-one
SMILESO=C(CCCn1cc(N2CCCCCC2)ccc1=O)N1CCNCC1
InChIInChI=1S/C19H30N4O2/c24-18(22-14-9-20-10-15-22)6-5-13-23-16-17(7-8-19(23)25)21-11-3-1-2-4-12-21/h7-8,16,20H,1-6,9-15H2
InChIKeyQGLJTGJGWPXHIQ-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.44
Rot. Bonds5

About 5-(azepan-1-yl)-1-(4-oxo-4-piperazin-1-ylbutyl)pyridin-2-one

5-(azepan-1-yl)-1-(4-oxo-4-piperazin-1-ylbutyl)pyridin-2-one (PubChem CID 39147721) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 5-(azepan-1-yl)-1-(4-oxo-4-piperazin-1-ylbutyl)pyridin-2-one.

Molecular Properties

Compound Name5-(azepan-1-yl)-1-(4-oxo-4-piperazin-1-ylbutyl)pyridin-2-one
PubChem CID39147721
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name5-(azepan-1-yl)-1-(4-oxo-4-piperazin-1-ylbutyl)pyridin-2-one
SMILESO=C(CCCn1cc(N2CCCCCC2)ccc1=O)N1CCNCC1
InChIInChI=1S/C19H30N4O2/c24-18(22-14-9-20-10-15-22)6-5-13-23-16-17(7-8-19(23)25)21-11-3-1-2-4-12-21/h7-8,16,20H,1-6,9-15H2
InChIKeyQGLJTGJGWPXHIQ-UHFFFAOYSA-N
XLogP1.44
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-1-(4-oxo-4-piperazin-1-ylbutyl)pyridin-2-one?
The IUPAC name of 5-(azepan-1-yl)-1-(4-oxo-4-piperazin-1-ylbutyl)pyridin-2-one (CID 39147721) is 5-(azepan-1-yl)-1-(4-oxo-4-piperazin-1-ylbutyl)pyridin-2-one.
What is the SMILES notation for 5-(azepan-1-yl)-1-(4-oxo-4-piperazin-1-ylbutyl)pyridin-2-one?
The canonical SMILES for 5-(azepan-1-yl)-1-(4-oxo-4-piperazin-1-ylbutyl)pyridin-2-one is O=C(CCCn1cc(N2CCCCCC2)ccc1=O)N1CCNCC1.
What is the InChIKey of 5-(azepan-1-yl)-1-(4-oxo-4-piperazin-1-ylbutyl)pyridin-2-one?
The InChIKey is QGLJTGJGWPXHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c24-18(22-14-9-20-10-15-22)6-5-13-23-16-17(7-8-19(23)25)21-11-3-1-2-4-12-21/h7-8,16,20H,1-6,9-15H2.
What are the key properties of 5-(azepan-1-yl)-1-(4-oxo-4-piperazin-1-ylbutyl)pyridin-2-one?
5-(azepan-1-yl)-1-(4-oxo-4-piperazin-1-ylbutyl)pyridin-2-one has a molecular weight of 346.48 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-1-(4-oxo-4-piperazin-1-ylbutyl)pyridin-2-one is sourced from PubChem (CID 39147721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).