1-(dibenzothiophen-4-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine

C20H20N4S — CID 131893219

IUPAC1-(dibenzothiophen-4-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine
SMILESc1ccc2c(c1)sc1c(CN3CCC(c4ncn[nH]4)CC3)cccc12
InChIInChI=1S/C20H20N4S/c1-2-7-18-16(5-1)17-6-3-4-15(19(17)25-18)12-24-10-8-14(9-11-24)20-21-13-22-23-20/h1-7,13-14H,8-12H2,(H,21,22,23)
InChIKeyXJSVSOIKSRQWGF-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.55
Rot. Bonds3

About 1-(dibenzothiophen-4-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine

1-(dibenzothiophen-4-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 131893219) has the molecular formula C20H20N4S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(dibenzothiophen-4-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(dibenzothiophen-4-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID131893219
Molecular FormulaC20H20N4S
Molecular Weight348.47 g/mol
Exact Mass348.14
IUPAC Name1-(dibenzothiophen-4-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine
SMILESc1ccc2c(c1)sc1c(CN3CCC(c4ncn[nH]4)CC3)cccc12
InChIInChI=1S/C20H20N4S/c1-2-7-18-16(5-1)17-6-3-4-15(19(17)25-18)12-24-10-8-14(9-11-24)20-21-13-22-23-20/h1-7,13-14H,8-12H2,(H,21,22,23)
InChIKeyXJSVSOIKSRQWGF-UHFFFAOYSA-N
XLogP4.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(dibenzothiophen-4-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 1-(dibenzothiophen-4-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine (CID 131893219) is 1-(dibenzothiophen-4-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 1-(dibenzothiophen-4-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 1-(dibenzothiophen-4-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine is c1ccc2c(c1)sc1c(CN3CCC(c4ncn[nH]4)CC3)cccc12.
What is the InChIKey of 1-(dibenzothiophen-4-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is XJSVSOIKSRQWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4S/c1-2-7-18-16(5-1)17-6-3-4-15(19(17)25-18)12-24-10-8-14(9-11-24)20-21-13-22-23-20/h1-7,13-14H,8-12H2,(H,21,22,23).
What are the key properties of 1-(dibenzothiophen-4-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine?
1-(dibenzothiophen-4-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 348.47 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibenzothiophen-4-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 131893219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).