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'}

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Related Compounds

3-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5H-phenanthridin-6-one
CID 10151320
3-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5H-phenanthridin-6-one;hydrochloride
CID 10151319
5-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]-2H-isoquinolin-1-one
CID 71736446
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435
3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 10131514
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
1-benzylazepane
CID 10954328
3-hydroxy-6-piperidin-1-yl-4-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-2H-isoquinolin-1-one
CID 135939819
9-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
CID 66757127
3,8-bis[2-(azetidin-1-yl)ethoxy]-5H-phenanthridin-6-one
CID 57439766
8-hydroxy-7-(piperidin-1-ylmethyl)-5H-[1]benzofuro[3,2-c]quinolin-6-one
CID 162659883
N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 10132635

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).