2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine

C20H28FN3OS — CID 22248088

IUPAC2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
SMILESCC(C)(C)Oc1nccnc1CN1CCC(CCc2sccc2F)CC1
InChIInChI=1S/C20H28FN3OS/c1-20(2,3)25-19-17(22-9-10-23-19)14-24-11-6-15(7-12-24)4-5-18-16(21)8-13-26-18/h8-10,13,15H,4-7,11-12,14H2,1-3H3
InChIKeyWALLDMBCGQCXJQ-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.70
Rot. Bonds6

About 2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine

2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine (PubChem CID 22248088) has the molecular formula C20H28FN3OS and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine.

Molecular Properties

Compound Name2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
PubChem CID22248088
Molecular FormulaC20H28FN3OS
Molecular Weight377.53 g/mol
Exact Mass377.19
IUPAC Name2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
SMILESCC(C)(C)Oc1nccnc1CN1CCC(CCc2sccc2F)CC1
InChIInChI=1S/C20H28FN3OS/c1-20(2,3)25-19-17(22-9-10-23-19)14-24-11-6-15(7-12-24)4-5-18-16(21)8-13-26-18/h8-10,13,15H,4-7,11-12,14H2,1-3H3
InChIKeyWALLDMBCGQCXJQ-UHFFFAOYSA-N
XLogP4.70
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The IUPAC name of 2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine (CID 22248088) is 2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine.
What is the SMILES notation for 2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The canonical SMILES for 2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine is CC(C)(C)Oc1nccnc1CN1CCC(CCc2sccc2F)CC1.
What is the InChIKey of 2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The InChIKey is WALLDMBCGQCXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3OS/c1-20(2,3)25-19-17(22-9-10-23-19)14-24-11-6-15(7-12-24)4-5-18-16(21)8-13-26-18/h8-10,13,15H,4-7,11-12,14H2,1-3H3.
What are the key properties of 2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine has a molecular weight of 377.53 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine is sourced from PubChem (CID 22248088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).