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

C14H18N2O3 — CID 63608438

IUPAC4-[2-(4-hydroxyphenyl)acetyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C14H18N2O3/c1-14(2)13(19)15-7-8-16(14)12(18)9-10-3-5-11(17)6-4-10/h3-6,17H,7-9H2,1-2H3,(H,15,19)
InChIKeyGYLVBPPRNBVMIQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.67
Rot. Bonds2

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

4-[2-(4-hydroxyphenyl)acetyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63608438) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)acetyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)acetyl]-3,3-dimethylpiperazin-2-one
PubChem CID63608438
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[2-(4-hydroxyphenyl)acetyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C14H18N2O3/c1-14(2)13(19)15-7-8-16(14)12(18)9-10-3-5-11(17)6-4-10/h3-6,17H,7-9H2,1-2H3,(H,15,19)
InChIKeyGYLVBPPRNBVMIQ-UHFFFAOYSA-N
XLogP0.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)acetyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(4-hydroxyphenyl)acetyl]-3,3-dimethylpiperazin-2-one (CID 63608438) is 4-[2-(4-hydroxyphenyl)acetyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)acetyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)acetyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)acetyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is GYLVBPPRNBVMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2)13(19)15-7-8-16(14)12(18)9-10-3-5-11(17)6-4-10/h3-6,17H,7-9H2,1-2H3,(H,15,19).
What are the key properties of 4-[2-(4-hydroxyphenyl)acetyl]-3,3-dimethylpiperazin-2-one?
4-[2-(4-hydroxyphenyl)acetyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 262.31 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)acetyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63608438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).