N-propyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide

C16H21F3N2O3S — CID 49431253

IUPACN-propyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2ccccc2S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C16H21F3N2O3S/c1-2-9-20-15(22)12-6-5-10-21(11-12)13-7-3-4-8-14(13)25(23,24)16(17,18)19/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,20,22)
InChIKeyNBJCODPHZLTPFM-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.72
Rot. Bonds5

About N-propyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide

N-propyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide (PubChem CID 49431253) has the molecular formula C16H21F3N2O3S and a molecular weight of 378.42 g/mol. Its IUPAC name is N-propyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-propyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide
PubChem CID49431253
Molecular FormulaC16H21F3N2O3S
Molecular Weight378.42 g/mol
Exact Mass378.12
IUPAC NameN-propyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2ccccc2S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C16H21F3N2O3S/c1-2-9-20-15(22)12-6-5-10-21(11-12)13-7-3-4-8-14(13)25(23,24)16(17,18)19/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,20,22)
InChIKeyNBJCODPHZLTPFM-UHFFFAOYSA-N
XLogP2.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine
CID 80673575
1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide
CID 49431230
(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 92716066
N-butyl-1-(2-nitrophenyl)piperidine-3-carboxamide
CID 49431649
1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 55132124
1-(3-methylsulfonyl-2-nitrophenyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133414224
3-methyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-ol
CID 114680817
[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol
CID 56796829
1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-propylpiperidine-3-carboxamide
CID 53202961
1-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanone
CID 63845141
1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide
CID 133286024
N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
CID 53202994

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-propyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide (CID 49431253) is N-propyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-propyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-propyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide is CCCNC(=O)C1CCCN(c2ccccc2S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of N-propyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide?
The InChIKey is NBJCODPHZLTPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3S/c1-2-9-20-15(22)12-6-5-10-21(11-12)13-7-3-4-8-14(13)25(23,24)16(17,18)19/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,20,22).
What are the key properties of N-propyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide?
N-propyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide has a molecular weight of 378.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 49431253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).