[1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

C18H26N6OS — CID 99938250

IUPAC[1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cn(C[C@H]2CCCNC2)nn1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C18H26N6OS/c25-18(17-14-24(21-20-17)12-15-3-1-5-19-11-15)23-8-6-22(7-9-23)13-16-4-2-10-26-16/h2,4,10,14-15,19H,1,3,5-9,11-13H2/t15-/m0/s1
InChIKeyXEWCSFSOIFKUFK-HNNXBMFYSA-N
MW374.51 g/mol
LogP1.30
Rot. Bonds5

About [1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

[1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 99938250) has the molecular formula C18H26N6OS and a molecular weight of 374.51 g/mol. Its IUPAC name is [1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID99938250
Molecular FormulaC18H26N6OS
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC Name[1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cn(C[C@H]2CCCNC2)nn1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C18H26N6OS/c25-18(17-14-24(21-20-17)12-15-3-1-5-19-11-15)23-8-6-22(7-9-23)13-16-4-2-10-26-16/h2,4,10,14-15,19H,1,3,5-9,11-13H2/t15-/m0/s1
InChIKeyXEWCSFSOIFKUFK-HNNXBMFYSA-N
XLogP1.30
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 99938250) is [1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is O=C(c1cn(C[C@H]2CCCNC2)nn1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of [1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is XEWCSFSOIFKUFK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N6OS/c25-18(17-14-24(21-20-17)12-15-3-1-5-19-11-15)23-8-6-22(7-9-23)13-16-4-2-10-26-16/h2,4,10,14-15,19H,1,3,5-9,11-13H2/t15-/m0/s1.
What are the key properties of [1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
[1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 374.51 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 99938250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).