4-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one

C14H18N2O3 — CID 63605973

IUPAC4-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1CC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H18N2O3/c1-14(2)13(19)15-7-8-16(14)9-12(18)10-3-5-11(17)6-4-10/h3-6,17H,7-9H2,1-2H3,(H,15,19)
InChIKeyOWNXOBRWFCYAEX-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.79
Rot. Bonds3

About 4-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one

4-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63605973) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
PubChem CID63605973
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1CC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H18N2O3/c1-14(2)13(19)15-7-8-16(14)9-12(18)10-3-5-11(17)6-4-10/h3-6,17H,7-9H2,1-2H3,(H,15,19)
InChIKeyOWNXOBRWFCYAEX-UHFFFAOYSA-N
XLogP0.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one (CID 63605973) is 4-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1CC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is OWNXOBRWFCYAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2)13(19)15-7-8-16(14)9-12(18)10-3-5-11(17)6-4-10/h3-6,17H,7-9H2,1-2H3,(H,15,19).
What are the key properties of 4-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one?
4-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 262.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63605973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).