1-cyclohexa-1,5-dien-1-yl-4-methylpiperazin-2-one

C11H16N2O — CID 143486728

IUPAC1-cyclohexa-1,5-dien-1-yl-4-methylpiperazin-2-one
SMILESCN1CCN(C2=CCCC=C2)C(=O)C1
InChIInChI=1S/C11H16N2O/c1-12-7-8-13(11(14)9-12)10-5-3-2-4-6-10/h3,5-6H,2,4,7-9H2,1H3
InChIKeySUMNPPFHTBWCNL-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.99
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-yl-4-methylpiperazin-2-one

1-cyclohexa-1,5-dien-1-yl-4-methylpiperazin-2-one (PubChem CID 143486728) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-4-methylpiperazin-2-one.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-4-methylpiperazin-2-one
PubChem CID143486728
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-cyclohexa-1,5-dien-1-yl-4-methylpiperazin-2-one
SMILESCN1CCN(C2=CCCC=C2)C(=O)C1
InChIInChI=1S/C11H16N2O/c1-12-7-8-13(11(14)9-12)10-5-3-2-4-6-10/h3,5-6H,2,4,7-9H2,1H3
InChIKeySUMNPPFHTBWCNL-UHFFFAOYSA-N
XLogP0.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-methylpiperazin-2-one?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-methylpiperazin-2-one (CID 143486728) is 1-cyclohexa-1,5-dien-1-yl-4-methylpiperazin-2-one.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-4-methylpiperazin-2-one?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-4-methylpiperazin-2-one is CN1CCN(C2=CCCC=C2)C(=O)C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-4-methylpiperazin-2-one?
The InChIKey is SUMNPPFHTBWCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-12-7-8-13(11(14)9-12)10-5-3-2-4-6-10/h3,5-6H,2,4,7-9H2,1H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-4-methylpiperazin-2-one?
1-cyclohexa-1,5-dien-1-yl-4-methylpiperazin-2-one has a molecular weight of 192.26 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-4-methylpiperazin-2-one is sourced from PubChem (CID 143486728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).