10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one

C21H23N3O2 — CID 119489974

IUPAC10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one
SMILESCNC1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1
InChIInChI=1S/C21H23N3O2/c1-22-15-7-6-12-23(13-15)20(25)14-24-18-10-4-2-8-16(18)21(26)17-9-3-5-11-19(17)24/h2-5,8-11,15,22H,6-7,12-14H2,1H3
InChIKeyNVCGNCVIAZEUSA-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.37
Rot. Bonds3

About 10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one

10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one (PubChem CID 119489974) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one.

Molecular Properties

Compound Name10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one
PubChem CID119489974
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one
SMILESCNC1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1
InChIInChI=1S/C21H23N3O2/c1-22-15-7-6-12-23(13-15)20(25)14-24-18-10-4-2-8-16(18)21(26)17-9-3-5-11-19(17)24/h2-5,8-11,15,22H,6-7,12-14H2,1H3
InChIKeyNVCGNCVIAZEUSA-UHFFFAOYSA-N
XLogP2.37
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of 10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one?
The IUPAC name of 10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one (CID 119489974) is 10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one.
What is the SMILES notation for 10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one?
The canonical SMILES for 10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one is CNC1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1.
What is the InChIKey of 10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one?
The InChIKey is NVCGNCVIAZEUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-22-15-7-6-12-23(13-15)20(25)14-24-18-10-4-2-8-16(18)21(26)17-9-3-5-11-19(17)24/h2-5,8-11,15,22H,6-7,12-14H2,1H3.
What are the key properties of 10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one?
10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one has a molecular weight of 349.43 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one is sourced from PubChem (CID 119489974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).