[2-(difluoromethylsulfanyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone

C20H22F2N2OS — CID 55479260

IUPAC[2-(difluoromethylsulfanyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccnc1SC(F)F)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C20H22F2N2OS/c21-20(22)26-18-17(7-4-12-23-18)19(25)24-13-10-16(11-14-24)9-8-15-5-2-1-3-6-15/h1-7,12,16,20H,8-11,13-14H2
InChIKeyWLRBSYDZMXRGKL-UHFFFAOYSA-N
MW376.47 g/mol
LogP4.88
Rot. Bonds6

About [2-(difluoromethylsulfanyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone

[2-(difluoromethylsulfanyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 55479260) has the molecular formula C20H22F2N2OS and a molecular weight of 376.47 g/mol. Its IUPAC name is [2-(difluoromethylsulfanyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethylsulfanyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID55479260
Molecular FormulaC20H22F2N2OS
Molecular Weight376.47 g/mol
Exact Mass376.14
IUPAC Name[2-(difluoromethylsulfanyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccnc1SC(F)F)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C20H22F2N2OS/c21-20(22)26-18-17(7-4-12-23-18)19(25)24-13-10-16(11-14-24)9-8-15-5-2-1-3-6-15/h1-7,12,16,20H,8-11,13-14H2
InChIKeyWLRBSYDZMXRGKL-UHFFFAOYSA-N
XLogP4.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(difluoromethylsulfanyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

ethyl 1-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperidine-4-carboxylate
CID 78806429
N-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 78810204
(2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 24720426
2-(4-chlorophenyl)-1-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 78882201
(3,4-dichlorophenyl)-[1-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 55956000
3-phenylpropyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 55381287
[2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 95873638
2-[1-(2-methylsulfanylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79614868
(4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone
CID 47087921
[3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone
CID 24964973
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 84575153

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethylsulfanyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(difluoromethylsulfanyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone (CID 55479260) is [2-(difluoromethylsulfanyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethylsulfanyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethylsulfanyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone is O=C(c1cccnc1SC(F)F)N1CCC(CCc2ccccc2)CC1.
What is the InChIKey of [2-(difluoromethylsulfanyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is WLRBSYDZMXRGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2OS/c21-20(22)26-18-17(7-4-12-23-18)19(25)24-13-10-16(11-14-24)9-8-15-5-2-1-3-6-15/h1-7,12,16,20H,8-11,13-14H2.
What are the key properties of [2-(difluoromethylsulfanyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
[2-(difluoromethylsulfanyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 376.47 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethylsulfanyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 55479260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).