2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone

C16H20BrN5O — CID 46806674

IUPAC2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)Cn1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C16H20BrN5O/c1-2-14-5-3-4-10-21(14)15(23)11-22-19-16(18-20-22)12-6-8-13(17)9-7-12/h6-9,14H,2-5,10-11H2,1H3
InChIKeyIPLXQHJORRQXBS-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.89
Rot. Bonds4

About 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone

2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 46806674) has the molecular formula C16H20BrN5O and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID46806674
Molecular FormulaC16H20BrN5O
Molecular Weight378.27 g/mol
Exact Mass377.09
IUPAC Name2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)Cn1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C16H20BrN5O/c1-2-14-5-3-4-10-21(14)15(23)11-22-19-16(18-20-22)12-6-8-13(17)9-7-12/h6-9,14H,2-5,10-11H2,1H3
InChIKeyIPLXQHJORRQXBS-UHFFFAOYSA-N
XLogP2.89
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 134813305
3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide
CID 120580017
2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 95181599
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 7490439
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 7589240
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide
CID 7589262
4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 51147871
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone
CID 66260722
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 30822735
[5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 17252757
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate
CID 46818683
2-[5-(3-fluorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 46806692

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone (CID 46806674) is 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)Cn1nnc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is IPLXQHJORRQXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O/c1-2-14-5-3-4-10-21(14)15(23)11-22-19-16(18-20-22)12-6-8-13(17)9-7-12/h6-9,14H,2-5,10-11H2,1H3.
What are the key properties of 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone?
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 378.27 g/mol, XLogP of 2.89, 4 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-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 46806674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).