4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-2-(2-methylpropanoyloxymethyl)piperazine-1-carboxylic acid

C24H28ClN3O5 — CID 126753650

IUPAC4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-2-(2-methylpropanoyloxymethyl)piperazine-1-carboxylic acid
SMILESCC(C)C(=O)OCC1CN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CCN1C(=O)O
InChIInChI=1S/C24H28ClN3O5/c1-14(2)23(30)33-13-16-12-27(9-10-28(16)24(31)32)22(29)15-7-8-18-20(11-15)26-19-6-4-3-5-17(19)21(18)25/h7-8,11,14,16H,3-6,9-10,12-13H2,1-2H3,(H,31,32)
InChIKeyLRLKVCOJHRUESY-UHFFFAOYSA-N
MW473.96 g/mol
LogP3.77
Rot. Bonds4

About 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-2-(2-methylpropanoyloxymethyl)piperazine-1-carboxylic acid

4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-2-(2-methylpropanoyloxymethyl)piperazine-1-carboxylic acid (PubChem CID 126753650) has the molecular formula C24H28ClN3O5 and a molecular weight of 473.96 g/mol. Its IUPAC name is 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-2-(2-methylpropanoyloxymethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-2-(2-methylpropanoyloxymethyl)piperazine-1-carboxylic acid
PubChem CID126753650
Molecular FormulaC24H28ClN3O5
Molecular Weight473.96 g/mol
Exact Mass473.17
IUPAC Name4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-2-(2-methylpropanoyloxymethyl)piperazine-1-carboxylic acid
SMILESCC(C)C(=O)OCC1CN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CCN1C(=O)O
InChIInChI=1S/C24H28ClN3O5/c1-14(2)23(30)33-13-16-12-27(9-10-28(16)24(31)32)22(29)15-7-8-18-20(11-15)26-19-6-4-3-5-17(19)21(18)25/h7-8,11,14,16H,3-6,9-10,12-13H2,1-2H3,(H,31,32)
InChIKeyLRLKVCOJHRUESY-UHFFFAOYSA-N
XLogP3.77
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-2-(2-methylpropanoyloxymethyl)piperazine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propyl 2-(acetyloxymethyl)-4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate
CID 126753672
methyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate
CID 155528154
(9-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl)-(3-methylpiperidin-1-yl)methanone
CID 20873715
3-O-methyl 1-O-propyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1,3-dicarboxylate
CID 126753784
6-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-3,6-diazabicyclo[3.1.1]heptane-3-carboxylic acid
CID 126753961
(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 126457296
butane;9-chloro-6-[1-(3-ethyl-4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridine
CID 145292460
propyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-3,5-dimethylpiperazine-1-carboxylate
CID 126753436
(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 15945471
propyl 4-[9-chloro-6-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carbonyl]-2-methylpiperazine-1-carboxylate
CID 129028877
propyl 4-[6-(2-aminoethyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl]-2-methylpiperazine-1-carboxylate
CID 145292272
butane;9-chloro-6-[1-(4-prop-1-en-2-ylpiperazin-1-yl)ethenyl]-1,2,3,4-tetrahydroacridine
CID 145292442

Frequently Asked Questions

What is the IUPAC name of 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-2-(2-methylpropanoyloxymethyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-2-(2-methylpropanoyloxymethyl)piperazine-1-carboxylic acid (CID 126753650) is 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-2-(2-methylpropanoyloxymethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-2-(2-methylpropanoyloxymethyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-2-(2-methylpropanoyloxymethyl)piperazine-1-carboxylic acid is CC(C)C(=O)OCC1CN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CCN1C(=O)O.
What is the InChIKey of 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-2-(2-methylpropanoyloxymethyl)piperazine-1-carboxylic acid?
The InChIKey is LRLKVCOJHRUESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O5/c1-14(2)23(30)33-13-16-12-27(9-10-28(16)24(31)32)22(29)15-7-8-18-20(11-15)26-19-6-4-3-5-17(19)21(18)25/h7-8,11,14,16H,3-6,9-10,12-13H2,1-2H3,(H,31,32).
What are the key properties of 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-2-(2-methylpropanoyloxymethyl)piperazine-1-carboxylic acid?
4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-2-(2-methylpropanoyloxymethyl)piperazine-1-carboxylic acid has a molecular weight of 473.96 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-2-(2-methylpropanoyloxymethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 126753650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).