N-[4-(1-hydroxyethyl)phenyl]-2-methyl-3,5-dioxopiperazine-1-carboxamide

C14H17N3O4 — CID 66075663

IUPACN-[4-(1-hydroxyethyl)phenyl]-2-methyl-3,5-dioxopiperazine-1-carboxamide
SMILESCC(O)c1ccc(NC(=O)N2CC(=O)NC(=O)C2C)cc1
InChIInChI=1S/C14H17N3O4/c1-8-13(20)16-12(19)7-17(8)14(21)15-11-5-3-10(4-6-11)9(2)18/h3-6,8-9,18H,7H2,1-2H3,(H,15,21)(H,16,19,20)
InChIKeyRCBKKKXBAOXXAR-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.62
Rot. Bonds2

About N-[4-(1-hydroxyethyl)phenyl]-2-methyl-3,5-dioxopiperazine-1-carboxamide

N-[4-(1-hydroxyethyl)phenyl]-2-methyl-3,5-dioxopiperazine-1-carboxamide (PubChem CID 66075663) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)phenyl]-2-methyl-3,5-dioxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)phenyl]-2-methyl-3,5-dioxopiperazine-1-carboxamide
PubChem CID66075663
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-[4-(1-hydroxyethyl)phenyl]-2-methyl-3,5-dioxopiperazine-1-carboxamide
SMILESCC(O)c1ccc(NC(=O)N2CC(=O)NC(=O)C2C)cc1
InChIInChI=1S/C14H17N3O4/c1-8-13(20)16-12(19)7-17(8)14(21)15-11-5-3-10(4-6-11)9(2)18/h3-6,8-9,18H,7H2,1-2H3,(H,15,21)(H,16,19,20)
InChIKeyRCBKKKXBAOXXAR-UHFFFAOYSA-N
XLogP0.62
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.62
H-Bond Donors ≤ 53
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 N-[4-(1-hydroxyethyl)phenyl]-2-methyl-3,5-dioxopiperazine-1-carboxamide?
The IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-2-methyl-3,5-dioxopiperazine-1-carboxamide (CID 66075663) is N-[4-(1-hydroxyethyl)phenyl]-2-methyl-3,5-dioxopiperazine-1-carboxamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)phenyl]-2-methyl-3,5-dioxopiperazine-1-carboxamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)phenyl]-2-methyl-3,5-dioxopiperazine-1-carboxamide is CC(O)c1ccc(NC(=O)N2CC(=O)NC(=O)C2C)cc1.
What is the InChIKey of N-[4-(1-hydroxyethyl)phenyl]-2-methyl-3,5-dioxopiperazine-1-carboxamide?
The InChIKey is RCBKKKXBAOXXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-8-13(20)16-12(19)7-17(8)14(21)15-11-5-3-10(4-6-11)9(2)18/h3-6,8-9,18H,7H2,1-2H3,(H,15,21)(H,16,19,20).
What are the key properties of N-[4-(1-hydroxyethyl)phenyl]-2-methyl-3,5-dioxopiperazine-1-carboxamide?
N-[4-(1-hydroxyethyl)phenyl]-2-methyl-3,5-dioxopiperazine-1-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)phenyl]-2-methyl-3,5-dioxopiperazine-1-carboxamide is sourced from PubChem (CID 66075663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).