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

C23H30ClN3O — CID 20866087

IUPAC9-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESCC1CCCN(CCCNC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)C1
InChIInChI=1S/C23H30ClN3O/c1-16-6-4-12-27(15-16)13-5-11-25-23(28)17-9-10-19-21(14-17)26-20-8-3-2-7-18(20)22(19)24/h9-10,14,16H,2-8,11-13,15H2,1H3,(H,25,28)
InChIKeyQKZHGAGOZWJDMO-UHFFFAOYSA-N
MW399.97 g/mol
LogP4.62
Rot. Bonds5

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

9-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide (PubChem CID 20866087) has the molecular formula C23H30ClN3O and a molecular weight of 399.97 g/mol. Its IUPAC name is 9-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide.

Molecular Properties

Compound Name9-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
PubChem CID20866087
Molecular FormulaC23H30ClN3O
Molecular Weight399.97 g/mol
Exact Mass399.21
IUPAC Name9-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESCC1CCCN(CCCNC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)C1
InChIInChI=1S/C23H30ClN3O/c1-16-6-4-12-27(15-16)13-5-11-25-23(28)17-9-10-19-21(14-17)26-20-8-3-2-7-18(20)22(19)24/h9-10,14,16H,2-8,11-13,15H2,1H3,(H,25,28)
InChIKeyQKZHGAGOZWJDMO-UHFFFAOYSA-N
XLogP4.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.97
LogP ≤ 54.62
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-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 20866048
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717869
2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide
CID 20967727
9-chloro-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 20873749
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 92672834
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55765667
1-[(4-fluorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]indazole-6-carboxamide
CID 53012805

Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide?
The IUPAC name of 9-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide (CID 20866087) is 9-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide.
What is the SMILES notation for 9-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide?
The canonical SMILES for 9-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide is CC1CCCN(CCCNC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)C1.
What is the InChIKey of 9-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide?
The InChIKey is QKZHGAGOZWJDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O/c1-16-6-4-12-27(15-16)13-5-11-25-23(28)17-9-10-19-21(14-17)26-20-8-3-2-7-18(20)22(19)24/h9-10,14,16H,2-8,11-13,15H2,1H3,(H,25,28).
What are the key properties of 9-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide?
9-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide has a molecular weight of 399.97 g/mol, XLogP of 4.62, 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-methylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide is sourced from PubChem (CID 20866087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).