3-(piperidin-1-ylmethyl)-5H-phenanthridin-6-one

C19H20N2O — CID 10286231

IUPAC3-(piperidin-1-ylmethyl)-5H-phenanthridin-6-one
SMILESO=c1[nH]c2cc(CN3CCCCC3)ccc2c2ccccc12
InChIInChI=1S/C19H20N2O/c22-19-17-7-3-2-6-15(17)16-9-8-14(12-18(16)20-19)13-21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,20,22)
InChIKeyOBGVFTLUAJDUQT-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.67
Rot. Bonds2

About 3-(piperidin-1-ylmethyl)-5H-phenanthridin-6-one

3-(piperidin-1-ylmethyl)-5H-phenanthridin-6-one (PubChem CID 10286231) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)-5H-phenanthridin-6-one.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)-5H-phenanthridin-6-one
PubChem CID10286231
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name3-(piperidin-1-ylmethyl)-5H-phenanthridin-6-one
SMILESO=c1[nH]c2cc(CN3CCCCC3)ccc2c2ccccc12
InChIInChI=1S/C19H20N2O/c22-19-17-7-3-2-6-15(17)16-9-8-14(12-18(16)20-19)13-21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,20,22)
InChIKeyOBGVFTLUAJDUQT-UHFFFAOYSA-N
XLogP3.67
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(piperidin-1-ylmethyl)-5H-phenanthridin-6-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 3-(piperidin-1-ylmethyl)-5H-phenanthridin-6-one?
The IUPAC name of 3-(piperidin-1-ylmethyl)-5H-phenanthridin-6-one (CID 10286231) is 3-(piperidin-1-ylmethyl)-5H-phenanthridin-6-one.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)-5H-phenanthridin-6-one?
The canonical SMILES for 3-(piperidin-1-ylmethyl)-5H-phenanthridin-6-one is O=c1[nH]c2cc(CN3CCCCC3)ccc2c2ccccc12.
What is the InChIKey of 3-(piperidin-1-ylmethyl)-5H-phenanthridin-6-one?
The InChIKey is OBGVFTLUAJDUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c22-19-17-7-3-2-6-15(17)16-9-8-14(12-18(16)20-19)13-21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,20,22).
What are the key properties of 3-(piperidin-1-ylmethyl)-5H-phenanthridin-6-one?
3-(piperidin-1-ylmethyl)-5H-phenanthridin-6-one has a molecular weight of 292.38 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)-5H-phenanthridin-6-one is sourced from PubChem (CID 10286231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).