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

C25H31N3O5S — CID 53207007

IUPAC7-[4-(cyclopentylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccc(S(=O)(=O)N4CCC(C(=O)NC5CCCC5)CC4)cc13)CCCC2
InChIInChI=1S/C25H31N3O5S/c29-24(26-17-5-1-2-6-17)16-11-13-28(14-12-16)34(32,33)18-9-10-22-20(15-18)23(25(30)31)19-7-3-4-8-21(19)27-22/h9-10,15-17H,1-8,11-14H2,(H,26,29)(H,30,31)
InChIKeyVIGBBIVRCYHTTM-UHFFFAOYSA-N
MW485.61 g/mol
LogP3.27
Rot. Bonds5

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

7-[4-(cyclopentylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (PubChem CID 53207007) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is 7-[4-(cyclopentylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name7-[4-(cyclopentylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
PubChem CID53207007
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC Name7-[4-(cyclopentylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccc(S(=O)(=O)N4CCC(C(=O)NC5CCCC5)CC4)cc13)CCCC2
InChIInChI=1S/C25H31N3O5S/c29-24(26-17-5-1-2-6-17)16-11-13-28(14-12-16)34(32,33)18-9-10-22-20(15-18)23(25(30)31)19-7-3-4-8-21(19)27-22/h9-10,15-17H,1-8,11-14H2,(H,26,29)(H,30,31)
InChIKeyVIGBBIVRCYHTTM-UHFFFAOYSA-N
XLogP3.27
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 92667295
7-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 20888184
(2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 92667299
(2R)-7-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 92667303
N-cyclopentyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1326017
N-cyclopentyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22549885
N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22549884
(3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888286
N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53298194
N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 4137817
7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
1-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]-N-cyclooctylpiperidine-4-carboxamide
CID 20900911

Frequently Asked Questions

What is the IUPAC name of 7-[4-(cyclopentylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The IUPAC name of 7-[4-(cyclopentylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CID 53207007) is 7-[4-(cyclopentylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
What is the SMILES notation for 7-[4-(cyclopentylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The canonical SMILES for 7-[4-(cyclopentylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is O=C(O)c1c2c(nc3ccc(S(=O)(=O)N4CCC(C(=O)NC5CCCC5)CC4)cc13)CCCC2.
What is the InChIKey of 7-[4-(cyclopentylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The InChIKey is VIGBBIVRCYHTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c29-24(26-17-5-1-2-6-17)16-11-13-28(14-12-16)34(32,33)18-9-10-22-20(15-18)23(25(30)31)19-7-3-4-8-21(19)27-22/h9-10,15-17H,1-8,11-14H2,(H,26,29)(H,30,31).
What are the key properties of 7-[4-(cyclopentylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
7-[4-(cyclopentylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid has a molecular weight of 485.61 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(cyclopentylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is sourced from PubChem (CID 53207007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).