phenyl-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

C13H15N5O — CID 110196473

IUPACphenyl-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C13H15N5O/c19-13(10-5-2-1-3-6-10)18-8-4-7-11(9-18)12-14-16-17-15-12/h1-3,5-6,11H,4,7-9H2,(H,14,15,16,17)
InChIKeyANZCTCZHTFSUEH-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.22
Rot. Bonds2

About phenyl-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

phenyl-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110196473) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is phenyl-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID110196473
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Namephenyl-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C13H15N5O/c19-13(10-5-2-1-3-6-10)18-8-4-7-11(9-18)12-14-16-17-15-12/h1-3,5-6,11H,4,7-9H2,(H,14,15,16,17)
InChIKeyANZCTCZHTFSUEH-UHFFFAOYSA-N
XLogP1.22
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 71911473
CID 71911473
CID 71916815
CID 71916815
CID 71926098
CID 71926098
CID 110196477
CID 110196477
CID 110196482
CID 110196482
CID 110196497
CID 110196497
CID 110196504
CID 110196504
CID 110196505
CID 110196505

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of phenyl-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (CID 110196473) is phenyl-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is O=C(c1ccccc1)N1CCCC(c2nn[nH]n2)C1.
What is the InChIKey of phenyl-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is ANZCTCZHTFSUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c19-13(10-5-2-1-3-6-10)18-8-4-7-11(9-18)12-14-16-17-15-12/h1-3,5-6,11H,4,7-9H2,(H,14,15,16,17).
What are the key properties of phenyl-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
phenyl-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 257.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110196473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).