2-[[1-(tetrazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]benzoic acid

C17H18N6O2 — CID 154799535

IUPAC2-[[1-(tetrazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]benzoic acid
SMILESO=C(O)c1ccccc1CC1CCN(c2nccn3nnnc23)CC1
InChIInChI=1S/C17H18N6O2/c24-17(25)14-4-2-1-3-13(14)11-12-5-8-22(9-6-12)15-16-19-20-21-23(16)10-7-18-15/h1-4,7,10,12H,5-6,8-9,11H2,(H,24,25)
InChIKeyFCMWPODSHRCHRM-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.68
Rot. Bonds4

About 2-[[1-(tetrazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]benzoic acid

2-[[1-(tetrazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]benzoic acid (PubChem CID 154799535) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-[[1-(tetrazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[1-(tetrazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]benzoic acid
PubChem CID154799535
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name2-[[1-(tetrazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]benzoic acid
SMILESO=C(O)c1ccccc1CC1CCN(c2nccn3nnnc23)CC1
InChIInChI=1S/C17H18N6O2/c24-17(25)14-4-2-1-3-13(14)11-12-5-8-22(9-6-12)15-16-19-20-21-23(16)10-7-18-15/h1-4,7,10,12H,5-6,8-9,11H2,(H,24,25)
InChIKeyFCMWPODSHRCHRM-UHFFFAOYSA-N
XLogP1.68
TPSA96.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(tetrazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]benzoic acid?
The IUPAC name of 2-[[1-(tetrazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]benzoic acid (CID 154799535) is 2-[[1-(tetrazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]benzoic acid.
What is the SMILES notation for 2-[[1-(tetrazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]benzoic acid?
The canonical SMILES for 2-[[1-(tetrazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]benzoic acid is O=C(O)c1ccccc1CC1CCN(c2nccn3nnnc23)CC1.
What is the InChIKey of 2-[[1-(tetrazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]benzoic acid?
The InChIKey is FCMWPODSHRCHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-17(25)14-4-2-1-3-13(14)11-12-5-8-22(9-6-12)15-16-19-20-21-23(16)10-7-18-15/h1-4,7,10,12H,5-6,8-9,11H2,(H,24,25).
What are the key properties of 2-[[1-(tetrazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]benzoic acid?
2-[[1-(tetrazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]benzoic acid has a molecular weight of 338.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(tetrazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]benzoic acid is sourced from PubChem (CID 154799535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).