1-[4-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone

C17H23N3OS — CID 74231673

IUPAC1-[4-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(CN2CCC(Cn3ccnc3C)CC2)cs1
InChIInChI=1S/C17H23N3OS/c1-13(21)17-9-16(12-22-17)10-19-6-3-15(4-7-19)11-20-8-5-18-14(20)2/h5,8-9,12,15H,3-4,6-7,10-11H2,1-2H3
InChIKeySFVWNIFCPCFYAV-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.37
Rot. Bonds5

About 1-[4-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone

1-[4-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone (PubChem CID 74231673) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 1-[4-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
PubChem CID74231673
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name1-[4-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(CN2CCC(Cn3ccnc3C)CC2)cs1
InChIInChI=1S/C17H23N3OS/c1-13(21)17-9-16(12-22-17)10-19-6-3-15(4-7-19)11-20-8-5-18-14(20)2/h5,8-9,12,15H,3-4,6-7,10-11H2,1-2H3
InChIKeySFVWNIFCPCFYAV-UHFFFAOYSA-N
XLogP3.37
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone (CID 74231673) is 1-[4-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone is CC(=O)c1cc(CN2CCC(Cn3ccnc3C)CC2)cs1.
What is the InChIKey of 1-[4-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone?
The InChIKey is SFVWNIFCPCFYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-13(21)17-9-16(12-22-17)10-19-6-3-15(4-7-19)11-20-8-5-18-14(20)2/h5,8-9,12,15H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of 1-[4-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone?
1-[4-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone has a molecular weight of 317.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 74231673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).