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

C12H21N3O2 — CID 110196300

IUPAC7-(4-methylpiperazine-1-carbonyl)azepan-2-one
SMILESCN1CCN(C(=O)C2CCCCC(=O)N2)CC1
InChIInChI=1S/C12H21N3O2/c1-14-6-8-15(9-7-14)12(17)10-4-2-3-5-11(16)13-10/h10H,2-9H2,1H3,(H,13,16)
InChIKeyWTTRUNDOUKQHNO-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.18
Rot. Bonds1

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

7-(4-methylpiperazine-1-carbonyl)azepan-2-one (PubChem CID 110196300) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 7-(4-methylpiperazine-1-carbonyl)azepan-2-one.

Molecular Properties

Compound Name7-(4-methylpiperazine-1-carbonyl)azepan-2-one
PubChem CID110196300
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name7-(4-methylpiperazine-1-carbonyl)azepan-2-one
SMILESCN1CCN(C(=O)C2CCCCC(=O)N2)CC1
InChIInChI=1S/C12H21N3O2/c1-14-6-8-15(9-7-14)12(17)10-4-2-3-5-11(16)13-10/h10H,2-9H2,1H3,(H,13,16)
InChIKeyWTTRUNDOUKQHNO-UHFFFAOYSA-N
XLogP-0.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazine-1-carbonyl)azepan-2-one?
The IUPAC name of 7-(4-methylpiperazine-1-carbonyl)azepan-2-one (CID 110196300) is 7-(4-methylpiperazine-1-carbonyl)azepan-2-one.
What is the SMILES notation for 7-(4-methylpiperazine-1-carbonyl)azepan-2-one?
The canonical SMILES for 7-(4-methylpiperazine-1-carbonyl)azepan-2-one is CN1CCN(C(=O)C2CCCCC(=O)N2)CC1.
What is the InChIKey of 7-(4-methylpiperazine-1-carbonyl)azepan-2-one?
The InChIKey is WTTRUNDOUKQHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-14-6-8-15(9-7-14)12(17)10-4-2-3-5-11(16)13-10/h10H,2-9H2,1H3,(H,13,16).
What are the key properties of 7-(4-methylpiperazine-1-carbonyl)azepan-2-one?
7-(4-methylpiperazine-1-carbonyl)azepan-2-one has a molecular weight of 239.32 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazine-1-carbonyl)azepan-2-one is sourced from PubChem (CID 110196300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).