[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone

C19H25N5OS — CID 24790882

IUPAC[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESCc1ccccc1N1CCN(C2CCCN(C(=O)c3cnsn3)C2)CC1
InChIInChI=1S/C19H25N5OS/c1-15-5-2-3-7-18(15)23-11-9-22(10-12-23)16-6-4-8-24(14-16)19(25)17-13-20-26-21-17/h2-3,5,7,13,16H,4,6,8-12,14H2,1H3
InChIKeyKBQNMEUABYDYAI-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.27
Rot. Bonds3

About [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone

[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 24790882) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID24790882
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESCc1ccccc1N1CCN(C2CCCN(C(=O)c3cnsn3)C2)CC1
InChIInChI=1S/C19H25N5OS/c1-15-5-2-3-7-18(15)23-11-9-22(10-12-23)16-6-4-8-24(14-16)19(25)17-13-20-26-21-17/h2-3,5,7,13,16H,4,6,8-12,14H2,1H3
InChIKeyKBQNMEUABYDYAI-UHFFFAOYSA-N
XLogP2.27
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone (CID 24790882) is [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone is Cc1ccccc1N1CCN(C2CCCN(C(=O)c3cnsn3)C2)CC1.
What is the InChIKey of [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is KBQNMEUABYDYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-15-5-2-3-7-18(15)23-11-9-22(10-12-23)16-6-4-8-24(14-16)19(25)17-13-20-26-21-17/h2-3,5,7,13,16H,4,6,8-12,14H2,1H3.
What are the key properties of [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 371.51 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 24790882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).