7-(2-piperidin-1-ylethyl)benzo[a]phenazin-5-one

C23H23N3O — CID 118731433

IUPAC7-(2-piperidin-1-ylethyl)benzo[a]phenazin-5-one
SMILESO=c1cc2n(CCN3CCCCC3)c3ccccc3nc-2c2ccccc12
InChIInChI=1S/C23H23N3O/c27-22-16-21-23(18-9-3-2-8-17(18)22)24-19-10-4-5-11-20(19)26(21)15-14-25-12-6-1-7-13-25/h2-5,8-11,16H,1,6-7,12-15H2
InChIKeyUYNZNTKXOPUXAV-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.14
Rot. Bonds3

About 7-(2-piperidin-1-ylethyl)benzo[a]phenazin-5-one

7-(2-piperidin-1-ylethyl)benzo[a]phenazin-5-one (PubChem CID 118731433) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 7-(2-piperidin-1-ylethyl)benzo[a]phenazin-5-one.

Molecular Properties

Compound Name7-(2-piperidin-1-ylethyl)benzo[a]phenazin-5-one
PubChem CID118731433
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name7-(2-piperidin-1-ylethyl)benzo[a]phenazin-5-one
SMILESO=c1cc2n(CCN3CCCCC3)c3ccccc3nc-2c2ccccc12
InChIInChI=1S/C23H23N3O/c27-22-16-21-23(18-9-3-2-8-17(18)22)24-19-10-4-5-11-20(19)26(21)15-14-25-12-6-1-7-13-25/h2-5,8-11,16H,1,6-7,12-15H2
InChIKeyUYNZNTKXOPUXAV-UHFFFAOYSA-N
XLogP4.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-[3-(diethylamino)propyl]benzo[a]phenazin-5-one
CID 118731436
1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide
CID 44888796
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272032
2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole
CID 112828549
N-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
CID 82359477
1-(2-piperidin-1-ylethyl)-2-pyrazin-2-ylbenzimidazole
CID 134126828
3-methyl-7-(3-methylbut-2-enyl)benzo[a]phenazin-5-one
CID 57333430
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride
CID 53313615
2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole
CID 10454082
1-(2-piperidin-1-ylethyl)quinolin-4-one
CID 141163131
N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyridine-4-carboxamide
CID 19576141
2-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]thieno[3,2-b]pyridine-7-carboxylic acid
CID 133053887

Frequently Asked Questions

What is the IUPAC name of 7-(2-piperidin-1-ylethyl)benzo[a]phenazin-5-one?
The IUPAC name of 7-(2-piperidin-1-ylethyl)benzo[a]phenazin-5-one (CID 118731433) is 7-(2-piperidin-1-ylethyl)benzo[a]phenazin-5-one.
What is the SMILES notation for 7-(2-piperidin-1-ylethyl)benzo[a]phenazin-5-one?
The canonical SMILES for 7-(2-piperidin-1-ylethyl)benzo[a]phenazin-5-one is O=c1cc2n(CCN3CCCCC3)c3ccccc3nc-2c2ccccc12.
What is the InChIKey of 7-(2-piperidin-1-ylethyl)benzo[a]phenazin-5-one?
The InChIKey is UYNZNTKXOPUXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c27-22-16-21-23(18-9-3-2-8-17(18)22)24-19-10-4-5-11-20(19)26(21)15-14-25-12-6-1-7-13-25/h2-5,8-11,16H,1,6-7,12-15H2.
What are the key properties of 7-(2-piperidin-1-ylethyl)benzo[a]phenazin-5-one?
7-(2-piperidin-1-ylethyl)benzo[a]phenazin-5-one has a molecular weight of 357.46 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-piperidin-1-ylethyl)benzo[a]phenazin-5-one is sourced from PubChem (CID 118731433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).