N-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide

C14H16N2O4 — CID 110483854

IUPACN-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide
SMILESO=C1CCC(NC(=O)CCc2ccc(O)cc2)C(=O)N1
InChIInChI=1S/C14H16N2O4/c17-10-4-1-9(2-5-10)3-7-12(18)15-11-6-8-13(19)16-14(11)20/h1-2,4-5,11,17H,3,6-8H2,(H,15,18)(H,16,19,20)
InChIKeyWKYZMOKIWREXPC-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.25
Rot. Bonds4

About N-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide

N-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 110483854) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide
PubChem CID110483854
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide
SMILESO=C1CCC(NC(=O)CCc2ccc(O)cc2)C(=O)N1
InChIInChI=1S/C14H16N2O4/c17-10-4-1-9(2-5-10)3-7-12(18)15-11-6-8-13(19)16-14(11)20/h1-2,4-5,11,17H,3,6-8H2,(H,15,18)(H,16,19,20)
InChIKeyWKYZMOKIWREXPC-UHFFFAOYSA-N
XLogP0.25
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.25
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-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide (CID 110483854) is N-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide is O=C1CCC(NC(=O)CCc2ccc(O)cc2)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is WKYZMOKIWREXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-10-4-1-9(2-5-10)3-7-12(18)15-11-6-8-13(19)16-14(11)20/h1-2,4-5,11,17H,3,6-8H2,(H,15,18)(H,16,19,20).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide?
N-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 276.29 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 110483854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).