5-(3,5-dipropylpiperidin-1-yl)sulfonyl-2-piperidin-1-ylbenzoic acid

C23H36N2O4S — CID 20505934

IUPAC5-(3,5-dipropylpiperidin-1-yl)sulfonyl-2-piperidin-1-ylbenzoic acid
SMILESCCCC1CC(CCC)CN(S(=O)(=O)c2ccc(N3CCCCC3)c(C(=O)O)c2)C1
InChIInChI=1S/C23H36N2O4S/c1-3-8-18-14-19(9-4-2)17-25(16-18)30(28,29)20-10-11-22(21(15-20)23(26)27)24-12-6-5-7-13-24/h10-11,15,18-19H,3-9,12-14,16-17H2,1-2H3,(H,26,27)
InChIKeyUAVAICBPTAKDHC-UHFFFAOYSA-N
MW436.62 g/mol
LogP4.60
Rot. Bonds8

About 5-(3,5-dipropylpiperidin-1-yl)sulfonyl-2-piperidin-1-ylbenzoic acid

5-(3,5-dipropylpiperidin-1-yl)sulfonyl-2-piperidin-1-ylbenzoic acid (PubChem CID 20505934) has the molecular formula C23H36N2O4S and a molecular weight of 436.62 g/mol. Its IUPAC name is 5-(3,5-dipropylpiperidin-1-yl)sulfonyl-2-piperidin-1-ylbenzoic acid.

Molecular Properties

Compound Name5-(3,5-dipropylpiperidin-1-yl)sulfonyl-2-piperidin-1-ylbenzoic acid
PubChem CID20505934
Molecular FormulaC23H36N2O4S
Molecular Weight436.62 g/mol
Exact Mass436.24
IUPAC Name5-(3,5-dipropylpiperidin-1-yl)sulfonyl-2-piperidin-1-ylbenzoic acid
SMILESCCCC1CC(CCC)CN(S(=O)(=O)c2ccc(N3CCCCC3)c(C(=O)O)c2)C1
InChIInChI=1S/C23H36N2O4S/c1-3-8-18-14-19(9-4-2)17-25(16-18)30(28,29)20-10-11-22(21(15-20)23(26)27)24-12-6-5-7-13-24/h10-11,15,18-19H,3-9,12-14,16-17H2,1-2H3,(H,26,27)
InChIKeyUAVAICBPTAKDHC-UHFFFAOYSA-N
XLogP4.60
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.62
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(3,5-diethylpiperidin-1-yl)sulfonylbenzoic acid
CID 20505851
5-propylsulfonyl-2-pyrrolidin-1-ylbenzoic acid
CID 59793636
(4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone
CID 134016872
azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 112759512
5-(3-methylbutylsulfamoyl)-2-pyrrolidin-1-ylbenzoic acid
CID 99986428
N-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide
CID 55612373
2-piperidin-1-yl-5-(propan-2-ylsulfamoyl)benzoic acid
CID 99981819
2-ethyl-5-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 115965051
[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate
CID 42983796
N-[2-(methylamino)ethyl]-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide;hydrochloride
CID 119503414
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate
CID 42983997
N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 55335115

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dipropylpiperidin-1-yl)sulfonyl-2-piperidin-1-ylbenzoic acid?
The IUPAC name of 5-(3,5-dipropylpiperidin-1-yl)sulfonyl-2-piperidin-1-ylbenzoic acid (CID 20505934) is 5-(3,5-dipropylpiperidin-1-yl)sulfonyl-2-piperidin-1-ylbenzoic acid.
What is the SMILES notation for 5-(3,5-dipropylpiperidin-1-yl)sulfonyl-2-piperidin-1-ylbenzoic acid?
The canonical SMILES for 5-(3,5-dipropylpiperidin-1-yl)sulfonyl-2-piperidin-1-ylbenzoic acid is CCCC1CC(CCC)CN(S(=O)(=O)c2ccc(N3CCCCC3)c(C(=O)O)c2)C1.
What is the InChIKey of 5-(3,5-dipropylpiperidin-1-yl)sulfonyl-2-piperidin-1-ylbenzoic acid?
The InChIKey is UAVAICBPTAKDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O4S/c1-3-8-18-14-19(9-4-2)17-25(16-18)30(28,29)20-10-11-22(21(15-20)23(26)27)24-12-6-5-7-13-24/h10-11,15,18-19H,3-9,12-14,16-17H2,1-2H3,(H,26,27).
What are the key properties of 5-(3,5-dipropylpiperidin-1-yl)sulfonyl-2-piperidin-1-ylbenzoic acid?
5-(3,5-dipropylpiperidin-1-yl)sulfonyl-2-piperidin-1-ylbenzoic acid has a molecular weight of 436.62 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dipropylpiperidin-1-yl)sulfonyl-2-piperidin-1-ylbenzoic acid is sourced from PubChem (CID 20505934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).