1-(azepan-1-yl)-2-piperazin-1-ylpropan-1-one

C13H25N3O — CID 13345094

IUPAC1-(azepan-1-yl)-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCCC1)N1CCNCC1
InChIInChI=1S/C13H25N3O/c1-12(15-10-6-14-7-11-15)13(17)16-8-4-2-3-5-9-16/h12,14H,2-11H2,1H3
InChIKeyIORVJBVHTXJJKA-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.68
Rot. Bonds2

About 1-(azepan-1-yl)-2-piperazin-1-ylpropan-1-one

1-(azepan-1-yl)-2-piperazin-1-ylpropan-1-one (PubChem CID 13345094) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-piperazin-1-ylpropan-1-one
PubChem CID13345094
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(azepan-1-yl)-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCCC1)N1CCNCC1
InChIInChI=1S/C13H25N3O/c1-12(15-10-6-14-7-11-15)13(17)16-8-4-2-3-5-9-16/h12,14H,2-11H2,1H3
InChIKeyIORVJBVHTXJJKA-UHFFFAOYSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(azepan-1-yl)-2-piperazin-1-ylpropan-1-one (CID 13345094) is 1-(azepan-1-yl)-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-2-piperazin-1-ylpropan-1-one is CC(C(=O)N1CCCCCC1)N1CCNCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-piperazin-1-ylpropan-1-one?
The InChIKey is IORVJBVHTXJJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-12(15-10-6-14-7-11-15)13(17)16-8-4-2-3-5-9-16/h12,14H,2-11H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-piperazin-1-ylpropan-1-one?
1-(azepan-1-yl)-2-piperazin-1-ylpropan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.68, 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-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 13345094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).