2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

C15H25N9O — CID 72876131

IUPAC2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)NCCc2ncnn2C)CC1
InChIInChI=1S/C15H25N9O/c1-12-4-7-23(8-5-12)9-14-19-20-21-24(14)10-15(25)16-6-3-13-17-11-18-22(13)2/h11-12H,3-10H2,1-2H3,(H,16,25)
InChIKeyDKHMBVFLBCSOMR-UHFFFAOYSA-N
MW347.43 g/mol
LogP-0.61
Rot. Bonds7

About 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 72876131) has the molecular formula C15H25N9O and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID72876131
Molecular FormulaC15H25N9O
Molecular Weight347.43 g/mol
Exact Mass347.22
IUPAC Name2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)NCCc2ncnn2C)CC1
InChIInChI=1S/C15H25N9O/c1-12-4-7-23(8-5-12)9-14-19-20-21-24(14)10-15(25)16-6-3-13-17-11-18-22(13)2/h11-12H,3-10H2,1-2H3,(H,16,25)
InChIKeyDKHMBVFLBCSOMR-UHFFFAOYSA-N
XLogP-0.61
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 72876131) is 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is CC1CCN(Cc2nnnn2CC(=O)NCCc2ncnn2C)CC1.
What is the InChIKey of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is DKHMBVFLBCSOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N9O/c1-12-4-7-23(8-5-12)9-14-19-20-21-24(14)10-15(25)16-6-3-13-17-11-18-22(13)2/h11-12H,3-10H2,1-2H3,(H,16,25).
What are the key properties of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 347.43 g/mol, XLogP of -0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 72876131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).