9-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide

C24H32ClN3O — CID 20866048

IUPAC9-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESCC1CC(C)CN(CCCNC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)C1
InChIInChI=1S/C24H32ClN3O/c1-16-12-17(2)15-28(14-16)11-5-10-26-24(29)18-8-9-20-22(13-18)27-21-7-4-3-6-19(21)23(20)25/h8-9,13,16-17H,3-7,10-12,14-15H2,1-2H3,(H,26,29)
InChIKeyFRNPRPFYKBRBAW-UHFFFAOYSA-N
MW413.99 g/mol
LogP4.86
Rot. Bonds5

About 9-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide

9-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide (PubChem CID 20866048) has the molecular formula C24H32ClN3O and a molecular weight of 413.99 g/mol. Its IUPAC name is 9-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide.

Molecular Properties

Compound Name9-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
PubChem CID20866048
Molecular FormulaC24H32ClN3O
Molecular Weight413.99 g/mol
Exact Mass413.22
IUPAC Name9-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESCC1CC(C)CN(CCCNC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)C1
InChIInChI=1S/C24H32ClN3O/c1-16-12-17(2)15-28(14-16)11-5-10-26-24(29)18-8-9-20-22(13-18)27-21-7-4-3-6-19(21)23(20)25/h8-9,13,16-17H,3-7,10-12,14-15H2,1-2H3,(H,26,29)
InChIKeyFRNPRPFYKBRBAW-UHFFFAOYSA-N
XLogP4.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.99
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 20866087
9-chloro-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 20873749
ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate
CID 20866032
N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-methyl-3-nitrobenzamide
CID 51525429
(9-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl)-(3-methylpiperidin-1-yl)methanone
CID 20873715
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide
CID 51726434
4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
CID 55735171
6-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-3,6-diazabicyclo[3.1.1]heptane-3-carboxylic acid
CID 126753961
9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 6619703
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55735264
4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 166180565
9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46503395

Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide?
The IUPAC name of 9-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide (CID 20866048) is 9-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide.
What is the SMILES notation for 9-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide?
The canonical SMILES for 9-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide is CC1CC(C)CN(CCCNC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)C1.
What is the InChIKey of 9-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide?
The InChIKey is FRNPRPFYKBRBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O/c1-16-12-17(2)15-28(14-16)11-5-10-26-24(29)18-8-9-20-22(13-18)27-21-7-4-3-6-19(21)23(20)25/h8-9,13,16-17H,3-7,10-12,14-15H2,1-2H3,(H,26,29).
What are the key properties of 9-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide?
9-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide has a molecular weight of 413.99 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide is sourced from PubChem (CID 20866048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).