4-[2-[(1R)-1-hydroxypropyl]phenyl]-3-methylpiperazine-2,6-dione

C14H18N2O3 — CID 103960231

IUPAC4-[2-[(1R)-1-hydroxypropyl]phenyl]-3-methylpiperazine-2,6-dione
SMILESCC[C@@H](O)c1ccccc1N1CC(=O)NC(=O)C1C
InChIInChI=1S/C14H18N2O3/c1-3-12(17)10-6-4-5-7-11(10)16-8-13(18)15-14(19)9(16)2/h4-7,9,12,17H,3,8H2,1-2H3,(H,15,18,19)/t9?,12-/m1/s1
InChIKeyYACJAIQPILNINX-FFFFSGIJSA-N
MW262.31 g/mol
LogP0.98
Rot. Bonds3

About 4-[2-[(1R)-1-hydroxypropyl]phenyl]-3-methylpiperazine-2,6-dione

4-[2-[(1R)-1-hydroxypropyl]phenyl]-3-methylpiperazine-2,6-dione (PubChem CID 103960231) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[2-[(1R)-1-hydroxypropyl]phenyl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-[(1R)-1-hydroxypropyl]phenyl]-3-methylpiperazine-2,6-dione
PubChem CID103960231
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[2-[(1R)-1-hydroxypropyl]phenyl]-3-methylpiperazine-2,6-dione
SMILESCC[C@@H](O)c1ccccc1N1CC(=O)NC(=O)C1C
InChIInChI=1S/C14H18N2O3/c1-3-12(17)10-6-4-5-7-11(10)16-8-13(18)15-14(19)9(16)2/h4-7,9,12,17H,3,8H2,1-2H3,(H,15,18,19)/t9?,12-/m1/s1
InChIKeyYACJAIQPILNINX-FFFFSGIJSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1R)-1-hydroxypropyl]phenyl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[2-[(1R)-1-hydroxypropyl]phenyl]-3-methylpiperazine-2,6-dione (CID 103960231) is 4-[2-[(1R)-1-hydroxypropyl]phenyl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-[(1R)-1-hydroxypropyl]phenyl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-[(1R)-1-hydroxypropyl]phenyl]-3-methylpiperazine-2,6-dione is CC[C@@H](O)c1ccccc1N1CC(=O)NC(=O)C1C.
What is the InChIKey of 4-[2-[(1R)-1-hydroxypropyl]phenyl]-3-methylpiperazine-2,6-dione?
The InChIKey is YACJAIQPILNINX-FFFFSGIJSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-12(17)10-6-4-5-7-11(10)16-8-13(18)15-14(19)9(16)2/h4-7,9,12,17H,3,8H2,1-2H3,(H,15,18,19)/t9?,12-/m1/s1.
What are the key properties of 4-[2-[(1R)-1-hydroxypropyl]phenyl]-3-methylpiperazine-2,6-dione?
4-[2-[(1R)-1-hydroxypropyl]phenyl]-3-methylpiperazine-2,6-dione has a molecular weight of 262.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1R)-1-hydroxypropyl]phenyl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 103960231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).