4-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-10H-acridin-9-one

C26H24N2O3 — CID 155944574

IUPAC4-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-10H-acridin-9-one
SMILESO=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCCC(CO)(c2ccccc2)C1
InChIInChI=1S/C26H24N2O3/c29-17-26(18-8-2-1-3-9-18)14-7-15-28(16-26)25(31)21-12-6-11-20-23(21)27-22-13-5-4-10-19(22)24(20)30/h1-6,8-13,29H,7,14-17H2,(H,27,30)
InChIKeyTYXCDVPTNLLAHL-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.85
Rot. Bonds3

About 4-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-10H-acridin-9-one

4-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-10H-acridin-9-one (PubChem CID 155944574) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-10H-acridin-9-one.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-10H-acridin-9-one
PubChem CID155944574
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name4-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-10H-acridin-9-one
SMILESO=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCCC(CO)(c2ccccc2)C1
InChIInChI=1S/C26H24N2O3/c29-17-26(18-8-2-1-3-9-18)14-7-15-28(16-26)25(31)21-12-6-11-20-23(21)27-22-13-5-4-10-19(22)24(20)30/h1-6,8-13,29H,7,14-17H2,(H,27,30)
InChIKeyTYXCDVPTNLLAHL-UHFFFAOYSA-N
XLogP3.85
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-10H-acridin-9-one 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 4-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-10H-acridin-9-one?
The IUPAC name of 4-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-10H-acridin-9-one (CID 155944574) is 4-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-10H-acridin-9-one.
What is the SMILES notation for 4-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-10H-acridin-9-one?
The canonical SMILES for 4-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-10H-acridin-9-one is O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCCC(CO)(c2ccccc2)C1.
What is the InChIKey of 4-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-10H-acridin-9-one?
The InChIKey is TYXCDVPTNLLAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c29-17-26(18-8-2-1-3-9-18)14-7-15-28(16-26)25(31)21-12-6-11-20-23(21)27-22-13-5-4-10-19(22)24(20)30/h1-6,8-13,29H,7,14-17H2,(H,27,30).
What are the key properties of 4-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-10H-acridin-9-one?
4-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-10H-acridin-9-one has a molecular weight of 412.49 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-10H-acridin-9-one is sourced from PubChem (CID 155944574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).