2-(5-phenyltetrazol-2-yl)-1-piperidin-1-ylethanone

C14H17N5O — CID 866087

IUPAC2-(5-phenyltetrazol-2-yl)-1-piperidin-1-ylethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N1CCCCC1
InChIInChI=1S/C14H17N5O/c20-13(18-9-5-2-6-10-18)11-19-16-14(15-17-19)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyRFZRMTINPYRMPT-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.35
Rot. Bonds3

About 2-(5-phenyltetrazol-2-yl)-1-piperidin-1-ylethanone

2-(5-phenyltetrazol-2-yl)-1-piperidin-1-ylethanone (PubChem CID 866087) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)-1-piperidin-1-ylethanone
PubChem CID866087
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-(5-phenyltetrazol-2-yl)-1-piperidin-1-ylethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N1CCCCC1
InChIInChI=1S/C14H17N5O/c20-13(18-9-5-2-6-10-18)11-19-16-14(15-17-19)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyRFZRMTINPYRMPT-UHFFFAOYSA-N
XLogP1.35
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)-1-piperidin-1-ylethanone (CID 866087) is 2-(5-phenyltetrazol-2-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)-1-piperidin-1-ylethanone is O=C(Cn1nnc(-c2ccccc2)n1)N1CCCCC1.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)-1-piperidin-1-ylethanone?
The InChIKey is RFZRMTINPYRMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c20-13(18-9-5-2-6-10-18)11-19-16-14(15-17-19)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2.
What are the key properties of 2-(5-phenyltetrazol-2-yl)-1-piperidin-1-ylethanone?
2-(5-phenyltetrazol-2-yl)-1-piperidin-1-ylethanone has a molecular weight of 271.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 866087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).