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

C20H27N5OS — CID 24816961

IUPAC[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1ccccc1N1CCN(C2CCCN(C(=O)c3snnc3C)C2)CC1
InChIInChI=1S/C20H27N5OS/c1-15-6-3-4-8-18(15)24-12-10-23(11-13-24)17-7-5-9-25(14-17)20(26)19-16(2)21-22-27-19/h3-4,6,8,17H,5,7,9-14H2,1-2H3
InChIKeyJJQGANCYICPSBF-UHFFFAOYSA-N
MW385.54 g/mol
LogP2.58
Rot. Bonds3

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

[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 24816961) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID24816961
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC Name[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1ccccc1N1CCN(C2CCCN(C(=O)c3snnc3C)C2)CC1
InChIInChI=1S/C20H27N5OS/c1-15-6-3-4-8-18(15)24-12-10-23(11-13-24)17-7-5-9-25(14-17)20(26)19-16(2)21-22-27-19/h3-4,6,8,17H,5,7,9-14H2,1-2H3
InChIKeyJJQGANCYICPSBF-UHFFFAOYSA-N
XLogP2.58
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 52.58
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]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 24816961) is [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1ccccc1N1CCN(C2CCCN(C(=O)c3snnc3C)C2)CC1.
What is the InChIKey of [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is JJQGANCYICPSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c1-15-6-3-4-8-18(15)24-12-10-23(11-13-24)17-7-5-9-25(14-17)20(26)19-16(2)21-22-27-19/h3-4,6,8,17H,5,7,9-14H2,1-2H3.
What are the key properties of [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 385.54 g/mol, XLogP of 2.58, 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]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 24816961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).