2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide

C16H24N8O — CID 72929829

IUPAC2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)Cn2nnnc2CN2CCC(C)CC2)cn1
InChIInChI=1S/C16H24N8O/c1-12-3-5-23(6-4-12)10-15-20-21-22-24(15)11-16(25)19-9-14-8-17-13(2)7-18-14/h7-8,12H,3-6,9-11H2,1-2H3,(H,19,25)
InChIKeyXGJLVANUYUPTNG-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.32
Rot. Bonds6

About 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide

2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide (PubChem CID 72929829) has the molecular formula C16H24N8O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
PubChem CID72929829
Molecular FormulaC16H24N8O
Molecular Weight344.42 g/mol
Exact Mass344.21
IUPAC Name2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)Cn2nnnc2CN2CCC(C)CC2)cn1
InChIInChI=1S/C16H24N8O/c1-12-3-5-23(6-4-12)10-15-20-21-22-24(15)11-16(25)19-9-14-8-17-13(2)7-18-14/h7-8,12H,3-6,9-11H2,1-2H3,(H,19,25)
InChIKeyXGJLVANUYUPTNG-UHFFFAOYSA-N
XLogP0.32
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.32
H-Bond Donors ≤ 51
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]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The IUPAC name of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide (CID 72929829) is 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide is Cc1cnc(CNC(=O)Cn2nnnc2CN2CCC(C)CC2)cn1.
What is the InChIKey of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The InChIKey is XGJLVANUYUPTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N8O/c1-12-3-5-23(6-4-12)10-15-20-21-22-24(15)11-16(25)19-9-14-8-17-13(2)7-18-14/h7-8,12H,3-6,9-11H2,1-2H3,(H,19,25).
What are the key properties of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide has a molecular weight of 344.42 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 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]-N-[(5-methylpyrazin-2-yl)methyl]acetamide is sourced from PubChem (CID 72929829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).