(3R)-1-(4-methoxyphenyl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide

C24H28N2O6S — CID 41210244

IUPAC(3R)-1-(4-methoxyphenyl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C2)cc1
InChIInChI=1S/C24H28N2O6S/c1-30-19-7-9-20(10-8-19)33(28,29)26-14-4-5-17(16-26)23(27)25-18-6-11-21-22(15-18)32-24(31-21)12-2-3-13-24/h6-11,15,17H,2-5,12-14,16H2,1H3,(H,25,27)/t17-/m1/s1
InChIKeyRYIBAHNQBGTYLL-QGZVFWFLSA-N
MW472.56 g/mol
LogP3.78
Rot. Bonds5

About (3R)-1-(4-methoxyphenyl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide

(3R)-1-(4-methoxyphenyl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide (PubChem CID 41210244) has the molecular formula C24H28N2O6S and a molecular weight of 472.56 g/mol. Its IUPAC name is (3R)-1-(4-methoxyphenyl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methoxyphenyl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide
PubChem CID41210244
Molecular FormulaC24H28N2O6S
Molecular Weight472.56 g/mol
Exact Mass472.17
IUPAC Name(3R)-1-(4-methoxyphenyl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C2)cc1
InChIInChI=1S/C24H28N2O6S/c1-30-19-7-9-20(10-8-19)33(28,29)26-14-4-5-17(16-26)23(27)25-18-6-11-21-22(15-18)32-24(31-21)12-2-3-13-24/h6-11,15,17H,2-5,12-14,16H2,1H3,(H,25,27)/t17-/m1/s1
InChIKeyRYIBAHNQBGTYLL-QGZVFWFLSA-N
XLogP3.78
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide
CID 55647241
(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
(3S)-N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 126380777
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
(3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 1456755
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
methyl 4-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 41301922
(3R)-N-(1,2-benzothiazol-5-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 100800625
(3R)-N-(4-carbamoylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9207182
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide
CID 9226890
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55539384
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 9225422

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxyphenyl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methoxyphenyl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide (CID 41210244) is (3R)-1-(4-methoxyphenyl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methoxyphenyl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methoxyphenyl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C2)cc1.
What is the InChIKey of (3R)-1-(4-methoxyphenyl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide?
The InChIKey is RYIBAHNQBGTYLL-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H28N2O6S/c1-30-19-7-9-20(10-8-19)33(28,29)26-14-4-5-17(16-26)23(27)25-18-6-11-21-22(15-18)32-24(31-21)12-2-3-13-24/h6-11,15,17H,2-5,12-14,16H2,1H3,(H,25,27)/t17-/m1/s1.
What are the key properties of (3R)-1-(4-methoxyphenyl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide?
(3R)-1-(4-methoxyphenyl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide has a molecular weight of 472.56 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxyphenyl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide is sourced from PubChem (CID 41210244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).