N-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide

C16H19FN2O4S — CID 166413075

IUPACN-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)C1
InChIInChI=1S/C16H19FN2O4S/c1-3-15(20)19-8-4-5-11(10-19)16(21)18-12-6-7-13(17)14(9-12)24(2,22)23/h3,6-7,9,11H,1,4-5,8,10H2,2H3,(H,18,21)
InChIKeyUMRLOGOCJVQYTK-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.59
Rot. Bonds4

About N-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide

N-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide (PubChem CID 166413075) has the molecular formula C16H19FN2O4S and a molecular weight of 354.40 g/mol. Its IUPAC name is N-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide
PubChem CID166413075
Molecular FormulaC16H19FN2O4S
Molecular Weight354.40 g/mol
Exact Mass354.10
IUPAC NameN-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)C1
InChIInChI=1S/C16H19FN2O4S/c1-3-15(20)19-8-4-5-11(10-19)16(21)18-12-6-7-13(17)14(9-12)24(2,22)23/h3,6-7,9,11H,1,4-5,8,10H2,2H3,(H,18,21)
InChIKeyUMRLOGOCJVQYTK-UHFFFAOYSA-N
XLogP1.59
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(1-benzofuran-5-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889920
N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411288
tert-butyl 3-[(4-fluoro-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 122513398
N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166412978
N-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411399
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
CID 110865367
tert-butyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 84555141
N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411311
(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-methylpiperidine-1,3-dicarboxamide
CID 166027295
1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 25162245
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55605523
N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide
CID 138719004

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide (CID 166413075) is N-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide is C=CC(=O)N1CCCC(C(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)C1.
What is the InChIKey of N-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide?
The InChIKey is UMRLOGOCJVQYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O4S/c1-3-15(20)19-8-4-5-11(10-19)16(21)18-12-6-7-13(17)14(9-12)24(2,22)23/h3,6-7,9,11H,1,4-5,8,10H2,2H3,(H,18,21).
What are the key properties of N-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide?
N-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide has a molecular weight of 354.40 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide is sourced from PubChem (CID 166413075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).