1-cyclohexa-1,3-dien-1-yl-4-propan-2-ylpiperazin-2-one

C13H20N2O — CID 134383197

IUPAC1-cyclohexa-1,3-dien-1-yl-4-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCN(C2=CC=CCC2)C(=O)C1
InChIInChI=1S/C13H20N2O/c1-11(2)14-8-9-15(13(16)10-14)12-6-4-3-5-7-12/h3-4,6,11H,5,7-10H2,1-2H3
InChIKeyAFNHCZAWWKMZCU-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.77
Rot. Bonds2

About 1-cyclohexa-1,3-dien-1-yl-4-propan-2-ylpiperazin-2-one

1-cyclohexa-1,3-dien-1-yl-4-propan-2-ylpiperazin-2-one (PubChem CID 134383197) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-4-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-4-propan-2-ylpiperazin-2-one
PubChem CID134383197
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-cyclohexa-1,3-dien-1-yl-4-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCN(C2=CC=CCC2)C(=O)C1
InChIInChI=1S/C13H20N2O/c1-11(2)14-8-9-15(13(16)10-14)12-6-4-3-5-7-12/h3-4,6,11H,5,7-10H2,1-2H3
InChIKeyAFNHCZAWWKMZCU-UHFFFAOYSA-N
XLogP1.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-propan-2-ylpiperazin-2-one?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-propan-2-ylpiperazin-2-one (CID 134383197) is 1-cyclohexa-1,3-dien-1-yl-4-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-4-propan-2-ylpiperazin-2-one?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-4-propan-2-ylpiperazin-2-one is CC(C)N1CCN(C2=CC=CCC2)C(=O)C1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-4-propan-2-ylpiperazin-2-one?
The InChIKey is AFNHCZAWWKMZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(2)14-8-9-15(13(16)10-14)12-6-4-3-5-7-12/h3-4,6,11H,5,7-10H2,1-2H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-4-propan-2-ylpiperazin-2-one?
1-cyclohexa-1,3-dien-1-yl-4-propan-2-ylpiperazin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-4-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 134383197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).