2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone

C14H16BrN5O — CID 9421864

IUPAC2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cn1nnnc1-c1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C14H16BrN5O/c15-12-6-4-11(5-7-12)14-16-17-18-20(14)10-13(21)19-8-2-1-3-9-19/h4-7H,1-3,8-10H2
InChIKeyTXHCWLNRFGCJJL-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.12
Rot. Bonds3

About 2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone

2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 9421864) has the molecular formula C14H16BrN5O and a molecular weight of 350.22 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone
PubChem CID9421864
Molecular FormulaC14H16BrN5O
Molecular Weight350.22 g/mol
Exact Mass349.05
IUPAC Name2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cn1nnnc1-c1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C14H16BrN5O/c15-12-6-4-11(5-7-12)14-16-17-18-20(14)10-13(21)19-8-2-1-3-9-19/h4-7H,1-3,8-10H2
InChIKeyTXHCWLNRFGCJJL-UHFFFAOYSA-N
XLogP2.12
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide
CID 9421929
6-(4-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7663524
2-[5-(4-bromophenyl)tetrazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 9421908
2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid
CID 135761962
2-[5-(3-methylphenyl)tetrazol-1-yl]-1-piperazin-1-ylethanone
CID 84759786
2-[5-(4-bromophenyl)tetrazol-1-yl]-1-(4-nitrophenyl)ethanone
CID 9421917
2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 1147148
2-[5-(4-fluorophenyl)tetrazol-1-yl]oxy-1-piperidin-1-ylethanone
CID 67669355
1-[2-(azepan-1-yl)-2-oxoethyl]-5-methyltriazole-4-carboxylic acid
CID 62056116
2-(4-acetyl-5-phenyltriazol-1-yl)-1-piperidin-1-ylethanone
CID 94942791
methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate
CID 15007346
2-(4-acetyl-5-methyltriazol-1-yl)-1-piperidin-1-ylethanone
CID 82202534

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone (CID 9421864) is 2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone is O=C(Cn1nnnc1-c1ccc(Br)cc1)N1CCCCC1.
What is the InChIKey of 2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is TXHCWLNRFGCJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5O/c15-12-6-4-11(5-7-12)14-16-17-18-20(14)10-13(21)19-8-2-1-3-9-19/h4-7H,1-3,8-10H2.
What are the key properties of 2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone?
2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 350.22 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 9421864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).