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

C27H29N3O5S — CID 6620521

IUPAC7-[4-(benzylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccc(S(=O)(=O)N4CCC(C(=O)NCc5ccccc5)CC4)cc13)CCCC2
InChIInChI=1S/C27H29N3O5S/c31-26(28-17-18-6-2-1-3-7-18)19-12-14-30(15-13-19)36(34,35)20-10-11-24-22(16-20)25(27(32)33)21-8-4-5-9-23(21)29-24/h1-3,6-7,10-11,16,19H,4-5,8-9,12-15,17H2,(H,28,31)(H,32,33)
InChIKeyONESEGWSAHFWSB-UHFFFAOYSA-N
MW507.61 g/mol
LogP3.53
Rot. Bonds6

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

7-[4-(benzylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (PubChem CID 6620521) has the molecular formula C27H29N3O5S and a molecular weight of 507.61 g/mol. Its IUPAC name is 7-[4-(benzylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name7-[4-(benzylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
PubChem CID6620521
Molecular FormulaC27H29N3O5S
Molecular Weight507.61 g/mol
Exact Mass507.18
IUPAC Name7-[4-(benzylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccc(S(=O)(=O)N4CCC(C(=O)NCc5ccccc5)CC4)cc13)CCCC2
InChIInChI=1S/C27H29N3O5S/c31-26(28-17-18-6-2-1-3-7-18)19-12-14-30(15-13-19)36(34,35)20-10-11-24-22(16-20)25(27(32)33)21-8-4-5-9-23(21)29-24/h1-3,6-7,10-11,16,19H,4-5,8-9,12-15,17H2,(H,28,31)(H,32,33)
InChIKeyONESEGWSAHFWSB-UHFFFAOYSA-N
XLogP3.53
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.61
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[4-(benzylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-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

Frequently Asked Questions

What is the IUPAC name of 7-[4-(benzylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The IUPAC name of 7-[4-(benzylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CID 6620521) is 7-[4-(benzylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
What is the SMILES notation for 7-[4-(benzylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The canonical SMILES for 7-[4-(benzylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is O=C(O)c1c2c(nc3ccc(S(=O)(=O)N4CCC(C(=O)NCc5ccccc5)CC4)cc13)CCCC2.
What is the InChIKey of 7-[4-(benzylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The InChIKey is ONESEGWSAHFWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5S/c31-26(28-17-18-6-2-1-3-7-18)19-12-14-30(15-13-19)36(34,35)20-10-11-24-22(16-20)25(27(32)33)21-8-4-5-9-23(21)29-24/h1-3,6-7,10-11,16,19H,4-5,8-9,12-15,17H2,(H,28,31)(H,32,33).
What are the key properties of 7-[4-(benzylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
7-[4-(benzylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid has a molecular weight of 507.61 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(benzylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is sourced from PubChem (CID 6620521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).