3-(2-methoxy-4-propan-2-ylphenyl)piperazin-2-one

C14H20N2O2 — CID 82296453

IUPAC3-(2-methoxy-4-propan-2-ylphenyl)piperazin-2-one
SMILESCOc1cc(C(C)C)ccc1C1NCCNC1=O
InChIInChI=1S/C14H20N2O2/c1-9(2)10-4-5-11(12(8-10)18-3)13-14(17)16-7-6-15-13/h4-5,8-9,13,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyMHVQVYYELJKSIH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.58
Rot. Bonds3

About 3-(2-methoxy-4-propan-2-ylphenyl)piperazin-2-one

3-(2-methoxy-4-propan-2-ylphenyl)piperazin-2-one (PubChem CID 82296453) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(2-methoxy-4-propan-2-ylphenyl)piperazin-2-one.

Molecular Properties

Compound Name3-(2-methoxy-4-propan-2-ylphenyl)piperazin-2-one
PubChem CID82296453
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(2-methoxy-4-propan-2-ylphenyl)piperazin-2-one
SMILESCOc1cc(C(C)C)ccc1C1NCCNC1=O
InChIInChI=1S/C14H20N2O2/c1-9(2)10-4-5-11(12(8-10)18-3)13-14(17)16-7-6-15-13/h4-5,8-9,13,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyMHVQVYYELJKSIH-UHFFFAOYSA-N
XLogP1.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-2-one
CID 82129058
3-(7-methoxy-1H-indol-3-yl)piperazin-2-one
CID 82622610
1-(2-methoxy-5-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 5108927
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one
CID 82305275
4-methoxy-6-propan-2-ylazulene
CID 56627743
2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde
CID 115222785
3-(2-methoxy-5-propan-2-ylphenyl)azetidine
CID 82283096
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253
3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one
CID 82129055
N-(2-methoxy-4-propan-2-ylphenyl)propanamide
CID 110777573
bis(2-methoxy-4-propan-2-ylphenyl)phosphane
CID 171780256

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-propan-2-ylphenyl)piperazin-2-one?
The IUPAC name of 3-(2-methoxy-4-propan-2-ylphenyl)piperazin-2-one (CID 82296453) is 3-(2-methoxy-4-propan-2-ylphenyl)piperazin-2-one.
What is the SMILES notation for 3-(2-methoxy-4-propan-2-ylphenyl)piperazin-2-one?
The canonical SMILES for 3-(2-methoxy-4-propan-2-ylphenyl)piperazin-2-one is COc1cc(C(C)C)ccc1C1NCCNC1=O.
What is the InChIKey of 3-(2-methoxy-4-propan-2-ylphenyl)piperazin-2-one?
The InChIKey is MHVQVYYELJKSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)10-4-5-11(12(8-10)18-3)13-14(17)16-7-6-15-13/h4-5,8-9,13,15H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 3-(2-methoxy-4-propan-2-ylphenyl)piperazin-2-one?
3-(2-methoxy-4-propan-2-ylphenyl)piperazin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-propan-2-ylphenyl)piperazin-2-one is sourced from PubChem (CID 82296453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).