1,3-dimethyl-4-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazin-2-one

C17H28N2O2 — CID 166047160

IUPAC1,3-dimethyl-4-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazin-2-one
SMILESCC(C)C1C=CC(OCCN2CCN(C)C(=O)C2C)=CC1
InChIInChI=1S/C17H28N2O2/c1-13(2)15-5-7-16(8-6-15)21-12-11-19-10-9-18(4)17(20)14(19)3/h5,7-8,13-15H,6,9-12H2,1-4H3
InChIKeyHAHYMAWTGKWHFY-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.28
Rot. Bonds5

About 1,3-dimethyl-4-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazin-2-one

1,3-dimethyl-4-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazin-2-one (PubChem CID 166047160) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1,3-dimethyl-4-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazin-2-one
PubChem CID166047160
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1,3-dimethyl-4-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazin-2-one
SMILESCC(C)C1C=CC(OCCN2CCN(C)C(=O)C2C)=CC1
InChIInChI=1S/C17H28N2O2/c1-13(2)15-5-7-16(8-6-15)21-12-11-19-10-9-18(4)17(20)14(19)3/h5,7-8,13-15H,6,9-12H2,1-4H3
InChIKeyHAHYMAWTGKWHFY-UHFFFAOYSA-N
XLogP2.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazin-2-one?
The IUPAC name of 1,3-dimethyl-4-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazin-2-one (CID 166047160) is 1,3-dimethyl-4-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazin-2-one.
What is the SMILES notation for 1,3-dimethyl-4-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazin-2-one?
The canonical SMILES for 1,3-dimethyl-4-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazin-2-one is CC(C)C1C=CC(OCCN2CCN(C)C(=O)C2C)=CC1.
What is the InChIKey of 1,3-dimethyl-4-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazin-2-one?
The InChIKey is HAHYMAWTGKWHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)15-5-7-16(8-6-15)21-12-11-19-10-9-18(4)17(20)14(19)3/h5,7-8,13-15H,6,9-12H2,1-4H3.
What are the key properties of 1,3-dimethyl-4-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazin-2-one?
1,3-dimethyl-4-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazin-2-one has a molecular weight of 292.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazin-2-one is sourced from PubChem (CID 166047160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).