1-(1-benzothiophen-3-ylmethyl)-4-(1H-imidazol-5-ylmethoxy)piperidine

C18H21N3OS — CID 11427407

IUPAC1-(1-benzothiophen-3-ylmethyl)-4-(1H-imidazol-5-ylmethoxy)piperidine
SMILESc1ccc2c(CN3CCC(OCc4cnc[nH]4)CC3)csc2c1
InChIInChI=1S/C18H21N3OS/c1-2-4-18-17(3-1)14(12-23-18)10-21-7-5-16(6-8-21)22-11-15-9-19-13-20-15/h1-4,9,12-13,16H,5-8,10-11H2,(H,19,20)
InChIKeyBTEFZBSGNTVJLR-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.81
Rot. Bonds5

About 1-(1-benzothiophen-3-ylmethyl)-4-(1H-imidazol-5-ylmethoxy)piperidine

1-(1-benzothiophen-3-ylmethyl)-4-(1H-imidazol-5-ylmethoxy)piperidine (PubChem CID 11427407) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-4-(1H-imidazol-5-ylmethoxy)piperidine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-4-(1H-imidazol-5-ylmethoxy)piperidine
PubChem CID11427407
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-4-(1H-imidazol-5-ylmethoxy)piperidine
SMILESc1ccc2c(CN3CCC(OCc4cnc[nH]4)CC3)csc2c1
InChIInChI=1S/C18H21N3OS/c1-2-4-18-17(3-1)14(12-23-18)10-21-7-5-16(6-8-21)22-11-15-9-19-13-20-15/h1-4,9,12-13,16H,5-8,10-11H2,(H,19,20)
InChIKeyBTEFZBSGNTVJLR-UHFFFAOYSA-N
XLogP3.81
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-4-(1H-imidazol-5-ylmethoxy)piperidine?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-4-(1H-imidazol-5-ylmethoxy)piperidine (CID 11427407) is 1-(1-benzothiophen-3-ylmethyl)-4-(1H-imidazol-5-ylmethoxy)piperidine.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-4-(1H-imidazol-5-ylmethoxy)piperidine?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-4-(1H-imidazol-5-ylmethoxy)piperidine is c1ccc2c(CN3CCC(OCc4cnc[nH]4)CC3)csc2c1.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-4-(1H-imidazol-5-ylmethoxy)piperidine?
The InChIKey is BTEFZBSGNTVJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-2-4-18-17(3-1)14(12-23-18)10-21-7-5-16(6-8-21)22-11-15-9-19-13-20-15/h1-4,9,12-13,16H,5-8,10-11H2,(H,19,20).
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-4-(1H-imidazol-5-ylmethoxy)piperidine?
1-(1-benzothiophen-3-ylmethyl)-4-(1H-imidazol-5-ylmethoxy)piperidine has a molecular weight of 327.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)-4-(1H-imidazol-5-ylmethoxy)piperidine is sourced from PubChem (CID 11427407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).