1-benzoyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C18H23F3N2O4S — CID 3305302

IUPAC1-benzoyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCCS(=O)(=O)N(CC(F)(F)F)C(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H23F3N2O4S/c1-2-12-28(26,27)23(13-18(19,20)21)17(25)15-8-10-22(11-9-15)16(24)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKeyORWKDUKBCZRZJS-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.67
Rot. Bonds6

About 1-benzoyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-benzoyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 3305302) has the molecular formula C18H23F3N2O4S and a molecular weight of 420.45 g/mol. Its IUPAC name is 1-benzoyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID3305302
Molecular FormulaC18H23F3N2O4S
Molecular Weight420.45 g/mol
Exact Mass420.13
IUPAC Name1-benzoyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCCS(=O)(=O)N(CC(F)(F)F)C(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H23F3N2O4S/c1-2-12-28(26,27)23(13-18(19,20)21)17(25)15-8-10-22(11-9-15)16(24)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKeyORWKDUKBCZRZJS-UHFFFAOYSA-N
XLogP2.67
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid
CID 119183312
nonyl 1-benzoylpiperidine-4-carboxylate
CID 91738796
4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid
CID 119173154
1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione
CID 15428765
1-benzoyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide
CID 136528098
1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one
CID 59178266
1-(4-fluorobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 17223883
[4-[1,3-dioxolan-2-ylmethyl(propyl)amino]piperidin-1-yl]-phenylmethanone
CID 75472621
N-(1-benzoylpiperidin-4-yl)-2-methyl-N-propyloxolane-3-carboxamide
CID 136519865
(1-benzoylpiperidin-4-yl) methanesulfonate
CID 15615416
1-(4-bromobenzoyl)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 55437870
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 3305302) is 1-benzoyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CCCS(=O)(=O)N(CC(F)(F)F)C(=O)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is ORWKDUKBCZRZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O4S/c1-2-12-28(26,27)23(13-18(19,20)21)17(25)15-8-10-22(11-9-15)16(24)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3.
What are the key properties of 1-benzoyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-benzoyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3305302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).