N-(1,3-benzodioxol-5-yl)-1-[(2R)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide

C22H24FN3O6S — CID 39969934

IUPACN-(1,3-benzodioxol-5-yl)-1-[(2R)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C22H24FN3O6S/c1-14(25-33(29,30)20-5-3-2-4-17(20)23)22(28)26-10-8-15(9-11-26)21(27)24-16-6-7-18-19(12-16)32-13-31-18/h2-7,12,14-15,25H,8-11,13H2,1H3,(H,24,27)/t14-/m1/s1
InChIKeySASAAIUDXVJGPR-CQSZACIVSA-N
MW477.51 g/mol
LogP2.10
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-1-[(2R)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1-[(2R)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide (PubChem CID 39969934) has the molecular formula C22H24FN3O6S and a molecular weight of 477.51 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-[(2R)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-[(2R)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide
PubChem CID39969934
Molecular FormulaC22H24FN3O6S
Molecular Weight477.51 g/mol
Exact Mass477.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-[(2R)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C22H24FN3O6S/c1-14(25-33(29,30)20-5-3-2-4-17(20)23)22(28)26-10-8-15(9-11-26)21(27)24-16-6-7-18-19(12-16)32-13-31-18/h2-7,12,14-15,25H,8-11,13H2,1H3,(H,24,27)/t14-/m1/s1
InChIKeySASAAIUDXVJGPR-CQSZACIVSA-N
XLogP2.10
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224462
4-N-(1,3-benzodioxol-5-yl)-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 166188583
N-(1,3-benzodioxol-5-yl)-1-[1-(3,5-difluorophenyl)ethyl]piperidine-4-carboxamide
CID 167799507
3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 146134401
N-(1,3-benzodioxol-5-yl)-1-(5-methylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 41410894
N-(1,3-benzodioxol-5-yl)-1-[2-(2,3,4,5,6-pentafluorophenyl)acetyl]piperidine-4-carboxamide
CID 16575048
1-[(2R)-2-(4-acetylphenoxy)propanoyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide
CID 41410637
N-(3,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31786532
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 27658928
1-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylic acid
CID 119166127
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluorobenzenesulfonamide
CID 18141997
N-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide
CID 41411139

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[(2R)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[(2R)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide (CID 39969934) is N-(1,3-benzodioxol-5-yl)-1-[(2R)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-[(2R)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-[(2R)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide is C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-[(2R)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide?
The InChIKey is SASAAIUDXVJGPR-CQSZACIVSA-N. The full InChI is InChI=1S/C22H24FN3O6S/c1-14(25-33(29,30)20-5-3-2-4-17(20)23)22(28)26-10-8-15(9-11-26)21(27)24-16-6-7-18-19(12-16)32-13-31-18/h2-7,12,14-15,25H,8-11,13H2,1H3,(H,24,27)/t14-/m1/s1.
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-[(2R)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-[(2R)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide has a molecular weight of 477.51 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-[(2R)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 39969934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).