N-[(3S)-2,6-dioxo-1-phenacylpiperidin-3-yl]acetamide

C15H16N2O4 — CID 46831112

IUPACN-[(3S)-2,6-dioxo-1-phenacylpiperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C15H16N2O4/c1-10(18)16-12-7-8-14(20)17(15(12)21)9-13(19)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyZOUDJLOPMJRMCU-LBPRGKRZSA-N
MW288.30 g/mol
LogP0.52
Rot. Bonds4

About N-[(3S)-2,6-dioxo-1-phenacylpiperidin-3-yl]acetamide

N-[(3S)-2,6-dioxo-1-phenacylpiperidin-3-yl]acetamide (PubChem CID 46831112) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[(3S)-2,6-dioxo-1-phenacylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-2,6-dioxo-1-phenacylpiperidin-3-yl]acetamide
PubChem CID46831112
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-[(3S)-2,6-dioxo-1-phenacylpiperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C15H16N2O4/c1-10(18)16-12-7-8-14(20)17(15(12)21)9-13(19)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyZOUDJLOPMJRMCU-LBPRGKRZSA-N
XLogP0.52
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.52
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-[(3S)-2,6-dioxo-1-phenacylpiperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-2,6-dioxo-1-phenacylpiperidin-3-yl]acetamide (CID 46831112) is N-[(3S)-2,6-dioxo-1-phenacylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-2,6-dioxo-1-phenacylpiperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-2,6-dioxo-1-phenacylpiperidin-3-yl]acetamide is CC(=O)N[C@H]1CCC(=O)N(CC(=O)c2ccccc2)C1=O.
What is the InChIKey of N-[(3S)-2,6-dioxo-1-phenacylpiperidin-3-yl]acetamide?
The InChIKey is ZOUDJLOPMJRMCU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10(18)16-12-7-8-14(20)17(15(12)21)9-13(19)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[(3S)-2,6-dioxo-1-phenacylpiperidin-3-yl]acetamide?
N-[(3S)-2,6-dioxo-1-phenacylpiperidin-3-yl]acetamide has a molecular weight of 288.30 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,6-dioxo-1-phenacylpiperidin-3-yl]acetamide is sourced from PubChem (CID 46831112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).