1,3-dimethyl-10-(4-piperidin-1-ylbutyl)acridin-9-one

C24H30N2O — CID 46927914

IUPAC1,3-dimethyl-10-(4-piperidin-1-ylbutyl)acridin-9-one
SMILESCc1cc(C)c2c(=O)c3ccccc3n(CCCCN3CCCCC3)c2c1
InChIInChI=1S/C24H30N2O/c1-18-16-19(2)23-22(17-18)26(21-11-5-4-10-20(21)24(23)27)15-9-8-14-25-12-6-3-7-13-25/h4-5,10-11,16-17H,3,6-9,12-15H2,1-2H3
InChIKeyUJBZACHBQDYHGY-UHFFFAOYSA-N
MW362.52 g/mol
LogP5.04
Rot. Bonds5

About 1,3-dimethyl-10-(4-piperidin-1-ylbutyl)acridin-9-one

1,3-dimethyl-10-(4-piperidin-1-ylbutyl)acridin-9-one (PubChem CID 46927914) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1,3-dimethyl-10-(4-piperidin-1-ylbutyl)acridin-9-one.

Molecular Properties

Compound Name1,3-dimethyl-10-(4-piperidin-1-ylbutyl)acridin-9-one
PubChem CID46927914
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name1,3-dimethyl-10-(4-piperidin-1-ylbutyl)acridin-9-one
SMILESCc1cc(C)c2c(=O)c3ccccc3n(CCCCN3CCCCC3)c2c1
InChIInChI=1S/C24H30N2O/c1-18-16-19(2)23-22(17-18)26(21-11-5-4-10-20(21)24(23)27)15-9-8-14-25-12-6-3-7-13-25/h4-5,10-11,16-17H,3,6-9,12-15H2,1-2H3
InChIKeyUJBZACHBQDYHGY-UHFFFAOYSA-N
XLogP5.04
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-10-(4-piperidin-1-ylbutyl)acridin-9-one?
The IUPAC name of 1,3-dimethyl-10-(4-piperidin-1-ylbutyl)acridin-9-one (CID 46927914) is 1,3-dimethyl-10-(4-piperidin-1-ylbutyl)acridin-9-one.
What is the SMILES notation for 1,3-dimethyl-10-(4-piperidin-1-ylbutyl)acridin-9-one?
The canonical SMILES for 1,3-dimethyl-10-(4-piperidin-1-ylbutyl)acridin-9-one is Cc1cc(C)c2c(=O)c3ccccc3n(CCCCN3CCCCC3)c2c1.
What is the InChIKey of 1,3-dimethyl-10-(4-piperidin-1-ylbutyl)acridin-9-one?
The InChIKey is UJBZACHBQDYHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-18-16-19(2)23-22(17-18)26(21-11-5-4-10-20(21)24(23)27)15-9-8-14-25-12-6-3-7-13-25/h4-5,10-11,16-17H,3,6-9,12-15H2,1-2H3.
What are the key properties of 1,3-dimethyl-10-(4-piperidin-1-ylbutyl)acridin-9-one?
1,3-dimethyl-10-(4-piperidin-1-ylbutyl)acridin-9-one has a molecular weight of 362.52 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-10-(4-piperidin-1-ylbutyl)acridin-9-one is sourced from PubChem (CID 46927914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).