1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-one

C15H19N5O — CID 134093211

IUPAC1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-one
SMILESCCn1nnc(-c2ccc(CN3CCC(=O)CC3)cc2)n1
InChIInChI=1S/C15H19N5O/c1-2-20-17-15(16-18-20)13-5-3-12(4-6-13)11-19-9-7-14(21)8-10-19/h3-6H,2,7-11H2,1H3
InChIKeyDEZCLODAHWBYTN-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.52
Rot. Bonds4

About 1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-one

1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-one (PubChem CID 134093211) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-one
PubChem CID134093211
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-one
SMILESCCn1nnc(-c2ccc(CN3CCC(=O)CC3)cc2)n1
InChIInChI=1S/C15H19N5O/c1-2-20-17-15(16-18-20)13-5-3-12(4-6-13)11-19-9-7-14(21)8-10-19/h3-6H,2,7-11H2,1H3
InChIKeyDEZCLODAHWBYTN-UHFFFAOYSA-N
XLogP1.52
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-one?
The IUPAC name of 1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-one (CID 134093211) is 1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-one.
What is the SMILES notation for 1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-one?
The canonical SMILES for 1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-one is CCn1nnc(-c2ccc(CN3CCC(=O)CC3)cc2)n1.
What is the InChIKey of 1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-one?
The InChIKey is DEZCLODAHWBYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-20-17-15(16-18-20)13-5-3-12(4-6-13)11-19-9-7-14(21)8-10-19/h3-6H,2,7-11H2,1H3.
What are the key properties of 1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-one?
1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-one has a molecular weight of 285.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-one is sourced from PubChem (CID 134093211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).