(2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

C24H29N3O5S — CID 92667295

IUPAC(2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESC[C@@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)NC5CC5)CC4)cc3c(C(=O)O)c2C1
InChIInChI=1S/C24H29N3O5S/c1-14-2-6-20-18(12-14)22(24(29)30)19-13-17(5-7-21(19)26-20)33(31,32)27-10-8-15(9-11-27)23(28)25-16-3-4-16/h5,7,13-16H,2-4,6,8-12H2,1H3,(H,25,28)(H,29,30)/t14-/m1/s1
InChIKeyYFSHENQWAYAMCV-CQSZACIVSA-N
MW471.58 g/mol
LogP2.74
Rot. Bonds5

About (2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

(2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (PubChem CID 92667295) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is (2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name(2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
PubChem CID92667295
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name(2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESC[C@@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)NC5CC5)CC4)cc3c(C(=O)O)c2C1
InChIInChI=1S/C24H29N3O5S/c1-14-2-6-20-18(12-14)22(24(29)30)19-13-17(5-7-21(19)26-20)33(31,32)27-10-8-15(9-11-27)23(28)25-16-3-4-16/h5,7,13-16H,2-4,6,8-12H2,1H3,(H,25,28)(H,29,30)/t14-/m1/s1
InChIKeyYFSHENQWAYAMCV-CQSZACIVSA-N
XLogP2.74
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid with MolForge

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Related Compounds

7-[4-(cyclopentylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 53207007
(2R)-7-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 92667303
(2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 92667299
7-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 20888184
6-chloro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 63462975
N-cyclopropyl-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide
CID 9145817
N-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 1455565
1-(3-acetylphenyl)sulfonyl-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide
CID 9091183
1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 53106235
N-cyclopentyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1326017
1-(3-methylsulfonylphenyl)sulfonyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 16828552
N-(4-methylcyclohexyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106361

Frequently Asked Questions

What is the IUPAC name of (2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The IUPAC name of (2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CID 92667295) is (2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
What is the SMILES notation for (2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The canonical SMILES for (2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is C[C@@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)NC5CC5)CC4)cc3c(C(=O)O)c2C1.
What is the InChIKey of (2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The InChIKey is YFSHENQWAYAMCV-CQSZACIVSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-14-2-6-20-18(12-14)22(24(29)30)19-13-17(5-7-21(19)26-20)33(31,32)27-10-8-15(9-11-27)23(28)25-16-3-4-16/h5,7,13-16H,2-4,6,8-12H2,1H3,(H,25,28)(H,29,30)/t14-/m1/s1.
What are the key properties of (2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
(2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid has a molecular weight of 471.58 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is sourced from PubChem (CID 92667295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).