10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one

C27H24N2O3 — CID 33179862

IUPAC10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one
SMILESO=C(c1ccccc1)C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1
InChIInChI=1S/C27H24N2O3/c30-25(28-16-14-20(15-17-28)26(31)19-8-2-1-3-9-19)18-29-23-12-6-4-10-21(23)27(32)22-11-5-7-13-24(22)29/h1-13,20H,14-18H2
InChIKeyQLOKXSPMDWLOSS-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.28
Rot. Bonds4

About 10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one

10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one (PubChem CID 33179862) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is 10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one.

Molecular Properties

Compound Name10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one
PubChem CID33179862
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one
SMILESO=C(c1ccccc1)C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1
InChIInChI=1S/C27H24N2O3/c30-25(28-16-14-20(15-17-28)26(31)19-8-2-1-3-9-19)18-29-23-12-6-4-10-21(23)27(32)22-11-5-7-13-24(22)29/h1-13,20H,14-18H2
InChIKeyQLOKXSPMDWLOSS-UHFFFAOYSA-N
XLogP4.28
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 41310154
10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119544334
2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2738645
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935
10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one
CID 55515627
1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60599884
10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119539969
10-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119662758
10-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]acridin-9-one
CID 55502854
1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide
CID 134051532
ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]piperidine-4-carboxylate
CID 16587229
1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119355662

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one?
The IUPAC name of 10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one (CID 33179862) is 10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one.
What is the SMILES notation for 10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one?
The canonical SMILES for 10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one is O=C(c1ccccc1)C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1.
What is the InChIKey of 10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one?
The InChIKey is QLOKXSPMDWLOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c30-25(28-16-14-20(15-17-28)26(31)19-8-2-1-3-9-19)18-29-23-12-6-4-10-21(23)27(32)22-11-5-7-13-24(22)29/h1-13,20H,14-18H2.
What are the key properties of 10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one?
10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one has a molecular weight of 424.50 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one is sourced from PubChem (CID 33179862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).