N-(2,6-dioxo-1-phenacylpiperidin-3-yl)propanamide

C16H18N2O4 — CID 144975524

IUPACN-(2,6-dioxo-1-phenacylpiperidin-3-yl)propanamide
SMILESCCC(=O)NC1CCC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C16H18N2O4/c1-2-14(20)17-12-8-9-15(21)18(16(12)22)10-13(19)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,17,20)
InChIKeyMTBGAOXOXBAIIS-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.91
Rot. Bonds5

About N-(2,6-dioxo-1-phenacylpiperidin-3-yl)propanamide

N-(2,6-dioxo-1-phenacylpiperidin-3-yl)propanamide (PubChem CID 144975524) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(2,6-dioxo-1-phenacylpiperidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-dioxo-1-phenacylpiperidin-3-yl)propanamide
PubChem CID144975524
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-(2,6-dioxo-1-phenacylpiperidin-3-yl)propanamide
SMILESCCC(=O)NC1CCC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C16H18N2O4/c1-2-14(20)17-12-8-9-15(21)18(16(12)22)10-13(19)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,17,20)
InChIKeyMTBGAOXOXBAIIS-UHFFFAOYSA-N
XLogP0.91
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
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-dioxo-1-phenacylpiperidin-3-yl)propanamide?
The IUPAC name of N-(2,6-dioxo-1-phenacylpiperidin-3-yl)propanamide (CID 144975524) is N-(2,6-dioxo-1-phenacylpiperidin-3-yl)propanamide.
What is the SMILES notation for N-(2,6-dioxo-1-phenacylpiperidin-3-yl)propanamide?
The canonical SMILES for N-(2,6-dioxo-1-phenacylpiperidin-3-yl)propanamide is CCC(=O)NC1CCC(=O)N(CC(=O)c2ccccc2)C1=O.
What is the InChIKey of N-(2,6-dioxo-1-phenacylpiperidin-3-yl)propanamide?
The InChIKey is MTBGAOXOXBAIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-2-14(20)17-12-8-9-15(21)18(16(12)22)10-13(19)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,17,20).
What are the key properties of N-(2,6-dioxo-1-phenacylpiperidin-3-yl)propanamide?
N-(2,6-dioxo-1-phenacylpiperidin-3-yl)propanamide has a molecular weight of 302.33 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxo-1-phenacylpiperidin-3-yl)propanamide is sourced from PubChem (CID 144975524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).