1-[(2R)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide

C16H22FN3O4S — CID 95195755

IUPAC1-[(2R)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
SMILESC[C@H](C(=O)N1CCC(C(N)=O)CC1)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C16H22FN3O4S/c1-11(16(22)19-8-6-12(7-9-19)15(18)21)20(25(2,23)24)14-5-3-4-13(17)10-14/h3-5,10-12H,6-9H2,1-2H3,(H2,18,21)/t11-/m1/s1
InChIKeyKXKIKECIOHYWTP-LLVKDONJSA-N
MW371.43 g/mol
LogP0.70
Rot. Bonds5

About 1-[(2R)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide

1-[(2R)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide (PubChem CID 95195755) has the molecular formula C16H22FN3O4S and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-[(2R)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
PubChem CID95195755
Molecular FormulaC16H22FN3O4S
Molecular Weight371.43 g/mol
Exact Mass371.13
IUPAC Name1-[(2R)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
SMILESC[C@H](C(=O)N1CCC(C(N)=O)CC1)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C16H22FN3O4S/c1-11(16(22)19-8-6-12(7-9-19)15(18)21)20(25(2,23)24)14-5-3-4-13(17)10-14/h3-5,10-12H,6-9H2,1-2H3,(H2,18,21)/t11-/m1/s1
InChIKeyKXKIKECIOHYWTP-LLVKDONJSA-N
XLogP0.70
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
CID 95119036
N-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
CID 95196387
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-N-(3-fluorophenyl)methanesulfonamide
CID 95196405
1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
CID 95186261
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(3-fluorophenyl)methanesulfonamide
CID 132654483
ethyl 1-[2-(3,4-dimethyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxylate
CID 2980911
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide
CID 95118493
N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
CID 95118554
N-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 1251029
N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 95118793
N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide
CID 95119028
ethyl 4-[(2R)-2-(3-chloro-N-methylsulfonylanilino)propanoyl]piperazine-1-carboxylate
CID 8991491

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide (CID 95195755) is 1-[(2R)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide is C[C@H](C(=O)N1CCC(C(N)=O)CC1)N(c1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of 1-[(2R)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide?
The InChIKey is KXKIKECIOHYWTP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22FN3O4S/c1-11(16(22)19-8-6-12(7-9-19)15(18)21)20(25(2,23)24)14-5-3-4-13(17)10-14/h3-5,10-12H,6-9H2,1-2H3,(H2,18,21)/t11-/m1/s1.
What are the key properties of 1-[(2R)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide?
1-[(2R)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide has a molecular weight of 371.43 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 95195755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).