2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

C15H27N7O3S — CID 72901532

IUPAC2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCC1CCN(Cc2nnnn2CC(=O)N2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C15H27N7O3S/c1-13-3-5-19(6-4-13)11-14-16-17-18-22(14)12-15(23)20-7-9-21(10-8-20)26(2,24)25/h13H,3-12H2,1-2H3
InChIKeyUYMUMLHPWUBXAK-UHFFFAOYSA-N
MW385.49 g/mol
LogP-0.99
Rot. Bonds5

About 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 72901532) has the molecular formula C15H27N7O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID72901532
Molecular FormulaC15H27N7O3S
Molecular Weight385.49 g/mol
Exact Mass385.19
IUPAC Name2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCC1CCN(Cc2nnnn2CC(=O)N2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C15H27N7O3S/c1-13-3-5-19(6-4-13)11-14-16-17-18-22(14)12-15(23)20-7-9-21(10-8-20)26(2,24)25/h13H,3-12H2,1-2H3
InChIKeyUYMUMLHPWUBXAK-UHFFFAOYSA-N
XLogP-0.99
TPSA104.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 72901532) is 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone is CC1CCN(Cc2nnnn2CC(=O)N2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is UYMUMLHPWUBXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N7O3S/c1-13-3-5-19(6-4-13)11-14-16-17-18-22(14)12-15(23)20-7-9-21(10-8-20)26(2,24)25/h13H,3-12H2,1-2H3.
What are the key properties of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 385.49 g/mol, XLogP of -0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 72901532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).