3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile

C18H20N6O — CID 46891381

IUPAC3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile
SMILESN#Cc1cccc(-n2nnc(C3CCCCN3C(=O)C3CCC3)n2)c1
InChIInChI=1S/C18H20N6O/c19-12-13-5-3-8-15(11-13)24-21-17(20-22-24)16-9-1-2-10-23(16)18(25)14-6-4-7-14/h3,5,8,11,14,16H,1-2,4,6-7,9-10H2
InChIKeyRDVZDMOJYYFVOJ-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.39
Rot. Bonds3

About 3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile

3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile (PubChem CID 46891381) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile
PubChem CID46891381
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile
SMILESN#Cc1cccc(-n2nnc(C3CCCCN3C(=O)C3CCC3)n2)c1
InChIInChI=1S/C18H20N6O/c19-12-13-5-3-8-15(11-13)24-21-17(20-22-24)16-9-1-2-10-23(16)18(25)14-6-4-7-14/h3,5,8,11,14,16H,1-2,4,6-7,9-10H2
InChIKeyRDVZDMOJYYFVOJ-UHFFFAOYSA-N
XLogP2.39
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile?
The IUPAC name of 3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile (CID 46891381) is 3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile.
What is the SMILES notation for 3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile?
The canonical SMILES for 3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile is N#Cc1cccc(-n2nnc(C3CCCCN3C(=O)C3CCC3)n2)c1.
What is the InChIKey of 3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile?
The InChIKey is RDVZDMOJYYFVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c19-12-13-5-3-8-15(11-13)24-21-17(20-22-24)16-9-1-2-10-23(16)18(25)14-6-4-7-14/h3,5,8,11,14,16H,1-2,4,6-7,9-10H2.
What are the key properties of 3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile?
3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile has a molecular weight of 336.40 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile is sourced from PubChem (CID 46891381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).