1-(2-methyl-4H-azepin-6-yl)piperazin-2-one

C11H15N3O — CID 134406376

IUPAC1-(2-methyl-4H-azepin-6-yl)piperazin-2-one
SMILESCC1=CCC=C(N2CCNCC2=O)C=N1
InChIInChI=1S/C11H15N3O/c1-9-3-2-4-10(7-13-9)14-6-5-12-8-11(14)15/h3-4,7,12H,2,5-6,8H2,1H3
InChIKeyKGMULRJVERAHPJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.68
Rot. Bonds1

About 1-(2-methyl-4H-azepin-6-yl)piperazin-2-one

1-(2-methyl-4H-azepin-6-yl)piperazin-2-one (PubChem CID 134406376) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(2-methyl-4H-azepin-6-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(2-methyl-4H-azepin-6-yl)piperazin-2-one
PubChem CID134406376
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(2-methyl-4H-azepin-6-yl)piperazin-2-one
SMILESCC1=CCC=C(N2CCNCC2=O)C=N1
InChIInChI=1S/C11H15N3O/c1-9-3-2-4-10(7-13-9)14-6-5-12-8-11(14)15/h3-4,7,12H,2,5-6,8H2,1H3
InChIKeyKGMULRJVERAHPJ-UHFFFAOYSA-N
XLogP0.68
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4H-azepin-6-yl)piperazin-2-one?
The IUPAC name of 1-(2-methyl-4H-azepin-6-yl)piperazin-2-one (CID 134406376) is 1-(2-methyl-4H-azepin-6-yl)piperazin-2-one.
What is the SMILES notation for 1-(2-methyl-4H-azepin-6-yl)piperazin-2-one?
The canonical SMILES for 1-(2-methyl-4H-azepin-6-yl)piperazin-2-one is CC1=CCC=C(N2CCNCC2=O)C=N1.
What is the InChIKey of 1-(2-methyl-4H-azepin-6-yl)piperazin-2-one?
The InChIKey is KGMULRJVERAHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9-3-2-4-10(7-13-9)14-6-5-12-8-11(14)15/h3-4,7,12H,2,5-6,8H2,1H3.
What are the key properties of 1-(2-methyl-4H-azepin-6-yl)piperazin-2-one?
1-(2-methyl-4H-azepin-6-yl)piperazin-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4H-azepin-6-yl)piperazin-2-one is sourced from PubChem (CID 134406376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).