N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]phenyl]acetamide

C23H23N3O3 — CID 2854742

IUPACN-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H23N3O3/c1-15(27)24-16-9-11-17(12-10-16)25-20-21(26-13-5-2-6-14-26)23(29)19-8-4-3-7-18(19)22(20)28/h3-4,7-12,25H,2,5-6,13-14H2,1H3,(H,24,27)
InChIKeyRLSQEDWLWFKNDG-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.83
Rot. Bonds4

About N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]phenyl]acetamide

N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]phenyl]acetamide (PubChem CID 2854742) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]phenyl]acetamide
PubChem CID2854742
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H23N3O3/c1-15(27)24-16-9-11-17(12-10-16)25-20-21(26-13-5-2-6-14-26)23(29)19-8-4-3-7-18(19)22(20)28/h3-4,7-12,25H,2,5-6,13-14H2,1H3,(H,24,27)
InChIKeyRLSQEDWLWFKNDG-UHFFFAOYSA-N
XLogP3.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]phenyl]acetamide (CID 2854742) is N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]phenyl]acetamide?
The InChIKey is RLSQEDWLWFKNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15(27)24-16-9-11-17(12-10-16)25-20-21(26-13-5-2-6-14-26)23(29)19-8-4-3-7-18(19)22(20)28/h3-4,7-12,25H,2,5-6,13-14H2,1H3,(H,24,27).
What are the key properties of N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]phenyl]acetamide?
N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]phenyl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 2854742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).