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

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

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Related Compounds

[2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441062
2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 60965985
2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129496225
2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129496223
2-(cyclopent-3-en-1-ylmethyl)benzoic acid
CID 67599835
2-(thiolan-3-ylmethyl)benzoic acid
CID 105479602
2-[[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]benzoic acid
CID 146135814
2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 62062379
4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid
CID 42670559
2-[[1-[(1R)-2,2-difluoro-1-methylcyclopropanecarbonyl]piperidin-4-yl]methyl]benzoic acid
CID 129469407
2-[[1-[(2-methoxy-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]benzoic acid
CID 167791758
4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline
CID 3241422

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).