1-(2,2-dimethylpropanoyl)-N-(3-fluoro-5-sulfamoylphenyl)piperidine-4-carboxamide

C17H24FN3O4S — CID 55979660

IUPAC1-(2,2-dimethylpropanoyl)-N-(3-fluoro-5-sulfamoylphenyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C17H24FN3O4S/c1-17(2,3)16(23)21-6-4-11(5-7-21)15(22)20-13-8-12(18)9-14(10-13)26(19,24)25/h8-11H,4-7H2,1-3H3,(H,20,22)(H2,19,24,25)
InChIKeyKMHHQYHISJLSCE-UHFFFAOYSA-N
MW385.46 g/mol
LogP1.70
Rot. Bonds3

About 1-(2,2-dimethylpropanoyl)-N-(3-fluoro-5-sulfamoylphenyl)piperidine-4-carboxamide

1-(2,2-dimethylpropanoyl)-N-(3-fluoro-5-sulfamoylphenyl)piperidine-4-carboxamide (PubChem CID 55979660) has the molecular formula C17H24FN3O4S and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-(3-fluoro-5-sulfamoylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-(3-fluoro-5-sulfamoylphenyl)piperidine-4-carboxamide
PubChem CID55979660
Molecular FormulaC17H24FN3O4S
Molecular Weight385.46 g/mol
Exact Mass385.15
IUPAC Name1-(2,2-dimethylpropanoyl)-N-(3-fluoro-5-sulfamoylphenyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C17H24FN3O4S/c1-17(2,3)16(23)21-6-4-11(5-7-21)15(22)20-13-8-12(18)9-14(10-13)26(19,24)25/h8-11H,4-7H2,1-3H3,(H,20,22)(H2,19,24,25)
InChIKeyKMHHQYHISJLSCE-UHFFFAOYSA-N
XLogP1.70
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911
N-[4-(tert-butylsulfamoyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224431
tert-butyl 4-[(3-fluoro-5-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 146484876
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224456
tert-butyl 4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]piperidine-1-carboxylate
CID 9257484
1-(2,2-dimethylpropanoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 51297121
N-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224462
N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224314
1-[(3-fluoro-5-sulfamoylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102384
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
N-[4-(dimethylamino)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 113008056
1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 55814773

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(3-fluoro-5-sulfamoylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(3-fluoro-5-sulfamoylphenyl)piperidine-4-carboxamide (CID 55979660) is 1-(2,2-dimethylpropanoyl)-N-(3-fluoro-5-sulfamoylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-(3-fluoro-5-sulfamoylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-(3-fluoro-5-sulfamoylphenyl)piperidine-4-carboxamide is CC(C)(C)C(=O)N1CCC(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-(3-fluoro-5-sulfamoylphenyl)piperidine-4-carboxamide?
The InChIKey is KMHHQYHISJLSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O4S/c1-17(2,3)16(23)21-6-4-11(5-7-21)15(22)20-13-8-12(18)9-14(10-13)26(19,24)25/h8-11H,4-7H2,1-3H3,(H,20,22)(H2,19,24,25).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-(3-fluoro-5-sulfamoylphenyl)piperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-N-(3-fluoro-5-sulfamoylphenyl)piperidine-4-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-(3-fluoro-5-sulfamoylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55979660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).