2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

C28H29N3O2 — CID 16622190

IUPAC2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C28H29N3O2/c32-27(29-18-21-10-2-3-11-22(21)19-30-16-8-1-9-17-30)20-31-25-14-6-4-12-23(25)28(33)24-13-5-7-15-26(24)31/h2-7,10-15H,1,8-9,16-20H2,(H,29,32)
InChIKeyIDROFXGYDAUXGO-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.46
Rot. Bonds6

About 2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 16622190) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID16622190
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC Name2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C28H29N3O2/c32-27(29-18-21-10-2-3-11-22(21)19-30-16-8-1-9-17-30)20-31-25-14-6-4-12-23(25)28(33)24-13-5-7-15-26(24)31/h2-7,10-15H,1,8-9,16-20H2,(H,29,32)
InChIKeyIDROFXGYDAUXGO-UHFFFAOYSA-N
XLogP4.46
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.46
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 2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (CID 16622190) is 2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccccc1CN1CCCCC1.
What is the InChIKey of 2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is IDROFXGYDAUXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c32-27(29-18-21-10-2-3-11-22(21)19-30-16-8-1-9-17-30)20-31-25-14-6-4-12-23(25)28(33)24-13-5-7-15-26(24)31/h2-7,10-15H,1,8-9,16-20H2,(H,29,32).
What are the key properties of 2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 439.56 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 16622190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).