2-[2-(1-benzylpiperidin-4-yl)ethylidene]-9-(methylamino)-3,4-dihydroacridin-1-one

C28H31N3O — CID 54293634

IUPAC2-[2-(1-benzylpiperidin-4-yl)ethylidene]-9-(methylamino)-3,4-dihydroacridin-1-one
SMILESCNc1c2c(nc3ccccc13)CCC(=CCC1CCN(Cc3ccccc3)CC1)C2=O
InChIInChI=1S/C28H31N3O/c1-29-27-23-9-5-6-10-24(23)30-25-14-13-22(28(32)26(25)27)12-11-20-15-17-31(18-16-20)19-21-7-3-2-4-8-21/h2-10,12,20H,11,13-19H2,1H3,(H,29,30)
InChIKeyRZGLHDZMHXEUIE-UHFFFAOYSA-N
MW425.58 g/mol
LogP5.63
Rot. Bonds5

About 2-[2-(1-benzylpiperidin-4-yl)ethylidene]-9-(methylamino)-3,4-dihydroacridin-1-one

2-[2-(1-benzylpiperidin-4-yl)ethylidene]-9-(methylamino)-3,4-dihydroacridin-1-one (PubChem CID 54293634) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is 2-[2-(1-benzylpiperidin-4-yl)ethylidene]-9-(methylamino)-3,4-dihydroacridin-1-one.

Molecular Properties

Compound Name2-[2-(1-benzylpiperidin-4-yl)ethylidene]-9-(methylamino)-3,4-dihydroacridin-1-one
PubChem CID54293634
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC Name2-[2-(1-benzylpiperidin-4-yl)ethylidene]-9-(methylamino)-3,4-dihydroacridin-1-one
SMILESCNc1c2c(nc3ccccc13)CCC(=CCC1CCN(Cc3ccccc3)CC1)C2=O
InChIInChI=1S/C28H31N3O/c1-29-27-23-9-5-6-10-24(23)30-25-14-13-22(28(32)26(25)27)12-11-20-15-17-31(18-16-20)19-21-7-3-2-4-8-21/h2-10,12,20H,11,13-19H2,1H3,(H,29,30)
InChIKeyRZGLHDZMHXEUIE-UHFFFAOYSA-N
XLogP5.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[2-(1-benzylpiperidin-4-yl)ethylidene]-9-(methylamino)-3,4-dihydroacridin-1-one with MolForge

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

Launch Full Analysis

Related Compounds

9-amino-2-[2-(1-benzylpiperidin-4-yl)ethylidene]-8-fluoro-3,4-dihydroacridin-1-one
CID 57064614
(2Z)-2-[2-(1-benzylpiperidin-4-yl)ethylidene]-3H-inden-1-one
CID 10177034
[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1-oxo-3,4-dihydro-2H-acridin-9-yl]-tert-butylcarbamic acid
CID 54534765
N-[2-(1-benzylpiperidin-4-yl)ethylideneamino]quinoline-2-carboxamide
CID 175113669
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
(1-benzylpiperidin-4-yl)methanesulfonic acid
CID 150183274
5-[[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1-oxo-3H-pyrrolo[3,4-b]quinolin-9-yl]oxy]pentanenitrile;ethane
CID 142137229
[9-[(1-benzylpiperidin-4-yl)amino]acridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 11698881
1-benzyl-4-(benzylsulfonylmethyl)piperidine
CID 18919882
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
2-(4-benzylpiperazin-1-yl)-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 16584618

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzylpiperidin-4-yl)ethylidene]-9-(methylamino)-3,4-dihydroacridin-1-one?
The IUPAC name of 2-[2-(1-benzylpiperidin-4-yl)ethylidene]-9-(methylamino)-3,4-dihydroacridin-1-one (CID 54293634) is 2-[2-(1-benzylpiperidin-4-yl)ethylidene]-9-(methylamino)-3,4-dihydroacridin-1-one.
What is the SMILES notation for 2-[2-(1-benzylpiperidin-4-yl)ethylidene]-9-(methylamino)-3,4-dihydroacridin-1-one?
The canonical SMILES for 2-[2-(1-benzylpiperidin-4-yl)ethylidene]-9-(methylamino)-3,4-dihydroacridin-1-one is CNc1c2c(nc3ccccc13)CCC(=CCC1CCN(Cc3ccccc3)CC1)C2=O.
What is the InChIKey of 2-[2-(1-benzylpiperidin-4-yl)ethylidene]-9-(methylamino)-3,4-dihydroacridin-1-one?
The InChIKey is RZGLHDZMHXEUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O/c1-29-27-23-9-5-6-10-24(23)30-25-14-13-22(28(32)26(25)27)12-11-20-15-17-31(18-16-20)19-21-7-3-2-4-8-21/h2-10,12,20H,11,13-19H2,1H3,(H,29,30).
What are the key properties of 2-[2-(1-benzylpiperidin-4-yl)ethylidene]-9-(methylamino)-3,4-dihydroacridin-1-one?
2-[2-(1-benzylpiperidin-4-yl)ethylidene]-9-(methylamino)-3,4-dihydroacridin-1-one has a molecular weight of 425.58 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzylpiperidin-4-yl)ethylidene]-9-(methylamino)-3,4-dihydroacridin-1-one is sourced from PubChem (CID 54293634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).