5-(azepan-1-yl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one

C18H28N4O2 — CID 39147657

IUPAC5-(azepan-1-yl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
SMILESO=C(CCn1cc(N2CCCCCC2)ccc1=O)N1CCNCC1
InChIInChI=1S/C18H28N4O2/c23-17-6-5-16(20-10-3-1-2-4-11-20)15-22(17)12-7-18(24)21-13-8-19-9-14-21/h5-6,15,19H,1-4,7-14H2
InChIKeyVPRAUJSOJRVXMO-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.05
Rot. Bonds4

About 5-(azepan-1-yl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one

5-(azepan-1-yl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one (PubChem CID 39147657) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-(azepan-1-yl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one.

Molecular Properties

Compound Name5-(azepan-1-yl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
PubChem CID39147657
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name5-(azepan-1-yl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
SMILESO=C(CCn1cc(N2CCCCCC2)ccc1=O)N1CCNCC1
InChIInChI=1S/C18H28N4O2/c23-17-6-5-16(20-10-3-1-2-4-11-20)15-22(17)12-7-18(24)21-13-8-19-9-14-21/h5-6,15,19H,1-4,7-14H2
InChIKeyVPRAUJSOJRVXMO-UHFFFAOYSA-N
XLogP1.05
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.05
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-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one?
The IUPAC name of 5-(azepan-1-yl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one (CID 39147657) is 5-(azepan-1-yl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one.
What is the SMILES notation for 5-(azepan-1-yl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one?
The canonical SMILES for 5-(azepan-1-yl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one is O=C(CCn1cc(N2CCCCCC2)ccc1=O)N1CCNCC1.
What is the InChIKey of 5-(azepan-1-yl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one?
The InChIKey is VPRAUJSOJRVXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-17-6-5-16(20-10-3-1-2-4-11-20)15-22(17)12-7-18(24)21-13-8-19-9-14-21/h5-6,15,19H,1-4,7-14H2.
What are the key properties of 5-(azepan-1-yl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one?
5-(azepan-1-yl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one has a molecular weight of 332.45 g/mol, XLogP of 1.05, 4 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-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one is sourced from PubChem (CID 39147657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).