1-[3-(2,5-difluorophenyl)sulfanylpropanoyl]piperidine-2-carboxamide

C15H18F2N2O2S — CID 84583941

IUPAC1-[3-(2,5-difluorophenyl)sulfanylpropanoyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)CCSc1cc(F)ccc1F
InChIInChI=1S/C15H18F2N2O2S/c16-10-4-5-11(17)13(9-10)22-8-6-14(20)19-7-2-1-3-12(19)15(18)21/h4-5,9,12H,1-3,6-8H2,(H2,18,21)
InChIKeyRNPSFGSIYSMGFT-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.31
Rot. Bonds5

About 1-[3-(2,5-difluorophenyl)sulfanylpropanoyl]piperidine-2-carboxamide

1-[3-(2,5-difluorophenyl)sulfanylpropanoyl]piperidine-2-carboxamide (PubChem CID 84583941) has the molecular formula C15H18F2N2O2S and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-[3-(2,5-difluorophenyl)sulfanylpropanoyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(2,5-difluorophenyl)sulfanylpropanoyl]piperidine-2-carboxamide
PubChem CID84583941
Molecular FormulaC15H18F2N2O2S
Molecular Weight328.38 g/mol
Exact Mass328.11
IUPAC Name1-[3-(2,5-difluorophenyl)sulfanylpropanoyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)CCSc1cc(F)ccc1F
InChIInChI=1S/C15H18F2N2O2S/c16-10-4-5-11(17)13(9-10)22-8-6-14(20)19-7-2-1-3-12(19)15(18)21/h4-5,9,12H,1-3,6-8H2,(H2,18,21)
InChIKeyRNPSFGSIYSMGFT-UHFFFAOYSA-N
XLogP2.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-aminopyrrolidin-1-yl]-3-(2,5-difluorophenyl)sulfanylpropan-1-one
CID 99632440
1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide
CID 84840649
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8633367
(2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide
CID 9199923
(2R)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide
CID 8809563
1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone
CID 63905359
1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid
CID 119176055
(2R)-1-[3-(2-chlorophenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid
CID 79035190
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203308
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate
CID 8539315
1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide
CID 75592631
4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 43222532

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-difluorophenyl)sulfanylpropanoyl]piperidine-2-carboxamide?
The IUPAC name of 1-[3-(2,5-difluorophenyl)sulfanylpropanoyl]piperidine-2-carboxamide (CID 84583941) is 1-[3-(2,5-difluorophenyl)sulfanylpropanoyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[3-(2,5-difluorophenyl)sulfanylpropanoyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[3-(2,5-difluorophenyl)sulfanylpropanoyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1C(=O)CCSc1cc(F)ccc1F.
What is the InChIKey of 1-[3-(2,5-difluorophenyl)sulfanylpropanoyl]piperidine-2-carboxamide?
The InChIKey is RNPSFGSIYSMGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2S/c16-10-4-5-11(17)13(9-10)22-8-6-14(20)19-7-2-1-3-12(19)15(18)21/h4-5,9,12H,1-3,6-8H2,(H2,18,21).
What are the key properties of 1-[3-(2,5-difluorophenyl)sulfanylpropanoyl]piperidine-2-carboxamide?
1-[3-(2,5-difluorophenyl)sulfanylpropanoyl]piperidine-2-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-difluorophenyl)sulfanylpropanoyl]piperidine-2-carboxamide is sourced from PubChem (CID 84583941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).