2-[4-[[4-[2-(5-chlorothiophen-3-yl)ethoxy]piperidin-1-yl]methyl]pyrazol-1-yl]-N-methylacetamide

C18H25ClN4O2S — CID 169139067

IUPAC2-[4-[[4-[2-(5-chlorothiophen-3-yl)ethoxy]piperidin-1-yl]methyl]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(CN2CCC(OCCc3csc(Cl)c3)CC2)cn1
InChIInChI=1S/C18H25ClN4O2S/c1-20-18(24)12-23-11-15(9-21-23)10-22-5-2-16(3-6-22)25-7-4-14-8-17(19)26-13-14/h8-9,11,13,16H,2-7,10,12H2,1H3,(H,20,24)
InChIKeyCBYWTIATUPIGNX-UHFFFAOYSA-N
MW396.94 g/mol
LogP2.57
Rot. Bonds8

About 2-[4-[[4-[2-(5-chlorothiophen-3-yl)ethoxy]piperidin-1-yl]methyl]pyrazol-1-yl]-N-methylacetamide

2-[4-[[4-[2-(5-chlorothiophen-3-yl)ethoxy]piperidin-1-yl]methyl]pyrazol-1-yl]-N-methylacetamide (PubChem CID 169139067) has the molecular formula C18H25ClN4O2S and a molecular weight of 396.94 g/mol. Its IUPAC name is 2-[4-[[4-[2-(5-chlorothiophen-3-yl)ethoxy]piperidin-1-yl]methyl]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[4-[2-(5-chlorothiophen-3-yl)ethoxy]piperidin-1-yl]methyl]pyrazol-1-yl]-N-methylacetamide
PubChem CID169139067
Molecular FormulaC18H25ClN4O2S
Molecular Weight396.94 g/mol
Exact Mass396.14
IUPAC Name2-[4-[[4-[2-(5-chlorothiophen-3-yl)ethoxy]piperidin-1-yl]methyl]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(CN2CCC(OCCc3csc(Cl)c3)CC2)cn1
InChIInChI=1S/C18H25ClN4O2S/c1-20-18(24)12-23-11-15(9-21-23)10-22-5-2-16(3-6-22)25-7-4-14-8-17(19)26-13-14/h8-9,11,13,16H,2-7,10,12H2,1H3,(H,20,24)
InChIKeyCBYWTIATUPIGNX-UHFFFAOYSA-N
XLogP2.57
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[2-(5-chlorothiophen-3-yl)ethoxy]piperidin-1-yl]methyl]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[4-[2-(5-chlorothiophen-3-yl)ethoxy]piperidin-1-yl]methyl]pyrazol-1-yl]-N-methylacetamide (CID 169139067) is 2-[4-[[4-[2-(5-chlorothiophen-3-yl)ethoxy]piperidin-1-yl]methyl]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[4-[2-(5-chlorothiophen-3-yl)ethoxy]piperidin-1-yl]methyl]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[4-[2-(5-chlorothiophen-3-yl)ethoxy]piperidin-1-yl]methyl]pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(CN2CCC(OCCc3csc(Cl)c3)CC2)cn1.
What is the InChIKey of 2-[4-[[4-[2-(5-chlorothiophen-3-yl)ethoxy]piperidin-1-yl]methyl]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is CBYWTIATUPIGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2S/c1-20-18(24)12-23-11-15(9-21-23)10-22-5-2-16(3-6-22)25-7-4-14-8-17(19)26-13-14/h8-9,11,13,16H,2-7,10,12H2,1H3,(H,20,24).
What are the key properties of 2-[4-[[4-[2-(5-chlorothiophen-3-yl)ethoxy]piperidin-1-yl]methyl]pyrazol-1-yl]-N-methylacetamide?
2-[4-[[4-[2-(5-chlorothiophen-3-yl)ethoxy]piperidin-1-yl]methyl]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 396.94 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[2-(5-chlorothiophen-3-yl)ethoxy]piperidin-1-yl]methyl]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 169139067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).