[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone

C20H23FN2O2S — CID 53150754

IUPAC[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
SMILESCSc1ncccc1C(=O)N1CCC(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C20H23FN2O2S/c1-26-19-18(6-3-10-22-19)20(24)23-11-7-15(8-12-23)9-13-25-17-5-2-4-16(21)14-17/h2-6,10,14-15H,7-9,11-13H2,1H3
InChIKeyZCQFVZKLGQHBET-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.26
Rot. Bonds6

About [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone

[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone (PubChem CID 53150754) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
PubChem CID53150754
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC Name[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
SMILESCSc1ncccc1C(=O)N1CCC(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C20H23FN2O2S/c1-26-19-18(6-3-10-22-19)20(24)23-11-7-15(8-12-23)9-13-25-17-5-2-4-16(21)14-17/h2-6,10,14-15H,7-9,11-13H2,1H3
InChIKeyZCQFVZKLGQHBET-UHFFFAOYSA-N
XLogP4.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ondelopran
CID 10457387
2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 2083057
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2093193
2-ethoxy-N-(3-phenylsulfanylpropyl)pyridine-3-carboxamide
CID 2517314
2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 10024231
2-(pyridin-4-ylmethylsulfanyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 10453929
N-(3-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093844
N-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093961
(6-(4-Fluorophenoxy)pyridin-3-yl)(4-methyl-1,4-diazepan-1-yl)methanone
CID 24770966
(4-Ethyl-1,4-diazepan-1-yl)(6-(4-fluorophenoxy)pyridin-3-yl)methanone
CID 24771016
(6-(4-Fluorophenoxy)pyridin-3-yl)(4-isopropylpiperazin-1-yl)methanone
CID 24771017
(4-Isopropylpiperazin-1-yl)(6-(4-(methylthio)phenoxy)pyridin-3-yl)methanone
CID 24771243

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
The IUPAC name of [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone (CID 53150754) is [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone.
What is the SMILES notation for [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
The canonical SMILES for [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone is CSc1ncccc1C(=O)N1CCC(CCOc2cccc(F)c2)CC1.
What is the InChIKey of [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
The InChIKey is ZCQFVZKLGQHBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-26-19-18(6-3-10-22-19)20(24)23-11-7-15(8-12-23)9-13-25-17-5-2-4-16(21)14-17/h2-6,10,14-15H,7-9,11-13H2,1H3.
What are the key properties of [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone has a molecular weight of 374.48 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone is sourced from PubChem (CID 53150754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).