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

C30H35N3O5S — CID 20888184

IUPAC7-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCC(CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)O)c3c2)CCCC4)CC1
InChIInChI=1S/C30H35N3O5S/c1-20(11-12-21-7-3-2-4-8-21)31-29(34)22-15-17-33(18-16-22)39(37,38)23-13-14-27-25(19-23)28(30(35)36)24-9-5-6-10-26(24)32-27/h2-4,7-8,13-14,19-20,22H,5-6,9-12,15-18H2,1H3,(H,31,34)(H,35,36)
InChIKeyFPOMNAUTHVTTSV-UHFFFAOYSA-N
MW549.69 g/mol
LogP4.35
Rot. Bonds8

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

7-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (PubChem CID 20888184) has the molecular formula C30H35N3O5S and a molecular weight of 549.69 g/mol. Its IUPAC name is 7-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name7-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
PubChem CID20888184
Molecular FormulaC30H35N3O5S
Molecular Weight549.69 g/mol
Exact Mass549.23
IUPAC Name7-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCC(CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)O)c3c2)CCCC4)CC1
InChIInChI=1S/C30H35N3O5S/c1-20(11-12-21-7-3-2-4-8-21)31-29(34)22-15-17-33(18-16-22)39(37,38)23-13-14-27-25(19-23)28(30(35)36)24-9-5-6-10-26(24)32-27/h2-4,7-8,13-14,19-20,22H,5-6,9-12,15-18H2,1H3,(H,31,34)(H,35,36)
InChIKeyFPOMNAUTHVTTSV-UHFFFAOYSA-N
XLogP4.35
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.69
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonyl-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
N-[(2S)-4-phenylbutan-2-yl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26290785
N-(4-phenylbutan-2-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 42909030
ethyl 4-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
CID 46612216
1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 29204152
(2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 92667295
(3R)-1-(benzenesulfonyl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 93476471
(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
5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 43882561
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 43882575
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 28590537

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The IUPAC name of 7-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CID 20888184) is 7-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
What is the SMILES notation for 7-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The canonical SMILES for 7-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is CC(CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)O)c3c2)CCCC4)CC1.
What is the InChIKey of 7-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The InChIKey is FPOMNAUTHVTTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O5S/c1-20(11-12-21-7-3-2-4-8-21)31-29(34)22-15-17-33(18-16-22)39(37,38)23-13-14-27-25(19-23)28(30(35)36)24-9-5-6-10-26(24)32-27/h2-4,7-8,13-14,19-20,22H,5-6,9-12,15-18H2,1H3,(H,31,34)(H,35,36).
What are the key properties of 7-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
7-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid has a molecular weight of 549.69 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is sourced from PubChem (CID 20888184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).