10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride

C22H26ClN3O2 — CID 119544334

IUPAC10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
SMILESCNCC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1.Cl
InChIInChI=1S/C22H25N3O2.ClH/c1-23-14-16-10-12-24(13-11-16)21(26)15-25-19-8-4-2-6-17(19)22(27)18-7-3-5-9-20(18)25;/h2-9,16,23H,10-15H2,1H3;1H
InChIKeyXGDUYAMBOWFWFO-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.03
Rot. Bonds4

About 10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride

10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride (PubChem CID 119544334) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride.

Molecular Properties

Compound Name10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
PubChem CID119544334
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
SMILESCNCC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1.Cl
InChIInChI=1S/C22H25N3O2.ClH/c1-23-14-16-10-12-24(13-11-16)21(26)15-25-19-8-4-2-6-17(19)22(27)18-7-3-5-9-20(18)25;/h2-9,16,23H,10-15H2,1H3;1H
InChIKeyXGDUYAMBOWFWFO-UHFFFAOYSA-N
XLogP3.03
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119539969
10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one
CID 119489974
10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one
CID 33179862
1-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one;hydrochloride
CID 119543880
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 119540436
10-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]acridin-9-one;hydrochloride
CID 120996346
10-[2-[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]acridin-9-one
CID 154866339
N,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide
CID 46518244
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-phenylpiperidine-3-carboxamide
CID 134051532
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 119545660

Frequently Asked Questions

What is the IUPAC name of 10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride?
The IUPAC name of 10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride (CID 119544334) is 10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride.
What is the SMILES notation for 10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride?
The canonical SMILES for 10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride is CNCC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1.Cl.
What is the InChIKey of 10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride?
The InChIKey is XGDUYAMBOWFWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2.ClH/c1-23-14-16-10-12-24(13-11-16)21(26)15-25-19-8-4-2-6-17(19)22(27)18-7-3-5-9-20(18)25;/h2-9,16,23H,10-15H2,1H3;1H.
What are the key properties of 10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride?
10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride has a molecular weight of 399.92 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride is sourced from PubChem (CID 119544334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).