N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C16H19F3N2O3S — CID 3230695

IUPACN-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H19F3N2O3S/c1-2-8-20-15(22)12-6-9-21(10-7-12)25(23,24)14-5-3-4-13(11-14)16(17,18)19/h2-5,11-12H,1,6-10H2,(H,20,22)
InChIKeyICQUWWDJOPNAHW-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.41
Rot. Bonds5

About N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 3230695) has the molecular formula C16H19F3N2O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID3230695
Molecular FormulaC16H19F3N2O3S
Molecular Weight376.40 g/mol
Exact Mass376.11
IUPAC NameN-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H19F3N2O3S/c1-2-8-20-15(22)12-6-9-21(10-7-12)25(23,24)14-5-3-4-13(11-14)16(17,18)19/h2-5,11-12H,1,6-10H2,(H,20,22)
InChIKeyICQUWWDJOPNAHW-UHFFFAOYSA-N
XLogP2.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3161026
2-Propyl-pentanoic acid [2-(4-sulfamoyl-phenyl)-ethyl]-amide
CID 11099458
1-Benzenesulfonyl-piperidine-4-carboxylic acid 2-fluoro-benzylamide
CID 2444257
4-(3,5-Bis-trifluoromethyl-benzenesulfonylaminocarbonyl)-piperidine-1-carboxylic acid tert-butyl ester
CID 44389185
2,2-Dimethyl-N-[1-(3-trifluoromethyl-benzenesulfonyl)-piperidin-4-yl]-propionamide
CID 646229
4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide
CID 653436
1-(3-{4-[(2-Methylpropyl)sulfamoyl]phenyl}propanoyl)piperidine-4-carboxamide
CID 1287856
N-cycloheptyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
CID 1326327
N-cycloheptyl-1-(phenylsulfonyl)-4-piperidinecarboxamide
CID 1327626
N-(2-phenylethyl)-1-(phenylsulfonyl)-4-piperidinecarboxamide
CID 1327814
N-cycloheptyl-1-[(4-fluorophenyl)sulfonyl]piperidine-4-carboxamide
CID 2059107

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 3230695) is N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is C=CCNC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is ICQUWWDJOPNAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3S/c1-2-8-20-15(22)12-6-9-21(10-7-12)25(23,24)14-5-3-4-13(11-14)16(17,18)19/h2-5,11-12H,1,6-10H2,(H,20,22).
What are the key properties of N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 376.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3230695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).