7-(4-ethylpiperazine-1-carbonyl)azepan-2-one

C13H23N3O2 — CID 110196316

IUPAC7-(4-ethylpiperazine-1-carbonyl)azepan-2-one
SMILESCCN1CCN(C(=O)C2CCCCC(=O)N2)CC1
InChIInChI=1S/C13H23N3O2/c1-2-15-7-9-16(10-8-15)13(18)11-5-3-4-6-12(17)14-11/h11H,2-10H2,1H3,(H,14,17)
InChIKeyBMXGTZQWDFONEY-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.21
Rot. Bonds2

About 7-(4-ethylpiperazine-1-carbonyl)azepan-2-one

7-(4-ethylpiperazine-1-carbonyl)azepan-2-one (PubChem CID 110196316) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 7-(4-ethylpiperazine-1-carbonyl)azepan-2-one.

Molecular Properties

Compound Name7-(4-ethylpiperazine-1-carbonyl)azepan-2-one
PubChem CID110196316
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name7-(4-ethylpiperazine-1-carbonyl)azepan-2-one
SMILESCCN1CCN(C(=O)C2CCCCC(=O)N2)CC1
InChIInChI=1S/C13H23N3O2/c1-2-15-7-9-16(10-8-15)13(18)11-5-3-4-6-12(17)14-11/h11H,2-10H2,1H3,(H,14,17)
InChIKeyBMXGTZQWDFONEY-UHFFFAOYSA-N
XLogP0.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylpiperazine-1-carbonyl)azepan-2-one?
The IUPAC name of 7-(4-ethylpiperazine-1-carbonyl)azepan-2-one (CID 110196316) is 7-(4-ethylpiperazine-1-carbonyl)azepan-2-one.
What is the SMILES notation for 7-(4-ethylpiperazine-1-carbonyl)azepan-2-one?
The canonical SMILES for 7-(4-ethylpiperazine-1-carbonyl)azepan-2-one is CCN1CCN(C(=O)C2CCCCC(=O)N2)CC1.
What is the InChIKey of 7-(4-ethylpiperazine-1-carbonyl)azepan-2-one?
The InChIKey is BMXGTZQWDFONEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-15-7-9-16(10-8-15)13(18)11-5-3-4-6-12(17)14-11/h11H,2-10H2,1H3,(H,14,17).
What are the key properties of 7-(4-ethylpiperazine-1-carbonyl)azepan-2-one?
7-(4-ethylpiperazine-1-carbonyl)azepan-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylpiperazine-1-carbonyl)azepan-2-one is sourced from PubChem (CID 110196316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).