1-[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]cyclopentan-1-ol

C18H26N4OS — CID 31259773

IUPAC1-[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]cyclopentan-1-ol
SMILESOC1(c2cn(CC3CCN(Cc4ccsc4)CC3)nn2)CCCC1
InChIInChI=1S/C18H26N4OS/c23-18(6-1-2-7-18)17-13-22(20-19-17)12-15-3-8-21(9-4-15)11-16-5-10-24-14-16/h5,10,13-15,23H,1-4,6-9,11-12H2
InChIKeyUMPZZAJNQLYZMM-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.01
Rot. Bonds5

About 1-[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]cyclopentan-1-ol

1-[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]cyclopentan-1-ol (PubChem CID 31259773) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]cyclopentan-1-ol
PubChem CID31259773
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name1-[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]cyclopentan-1-ol
SMILESOC1(c2cn(CC3CCN(Cc4ccsc4)CC3)nn2)CCCC1
InChIInChI=1S/C18H26N4OS/c23-18(6-1-2-7-18)17-13-22(20-19-17)12-15-3-8-21(9-4-15)11-16-5-10-24-14-16/h5,10,13-15,23H,1-4,6-9,11-12H2
InChIKeyUMPZZAJNQLYZMM-UHFFFAOYSA-N
XLogP3.01
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]cyclopentan-1-ol?
The IUPAC name of 1-[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]cyclopentan-1-ol (CID 31259773) is 1-[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]cyclopentan-1-ol.
What is the SMILES notation for 1-[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]cyclopentan-1-ol?
The canonical SMILES for 1-[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]cyclopentan-1-ol is OC1(c2cn(CC3CCN(Cc4ccsc4)CC3)nn2)CCCC1.
What is the InChIKey of 1-[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]cyclopentan-1-ol?
The InChIKey is UMPZZAJNQLYZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c23-18(6-1-2-7-18)17-13-22(20-19-17)12-15-3-8-21(9-4-15)11-16-5-10-24-14-16/h5,10,13-15,23H,1-4,6-9,11-12H2.
What are the key properties of 1-[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]cyclopentan-1-ol?
1-[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]cyclopentan-1-ol has a molecular weight of 346.50 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]cyclopentan-1-ol is sourced from PubChem (CID 31259773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).