3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one

C18H24N6O2 — CID 78904858

IUPAC3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
SMILESCCc1ccc(CCC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1
InChIInChI=1S/C18H24N6O2/c1-2-15-3-5-16(6-4-15)7-8-17(25)22-9-11-23(12-10-22)18(26)13-24-14-19-20-21-24/h3-6,14H,2,7-13H2,1H3
InChIKeyBHUPHGYGIWJPPH-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.54
Rot. Bonds6

About 3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one

3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 78904858) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
PubChem CID78904858
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
SMILESCCc1ccc(CCC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1
InChIInChI=1S/C18H24N6O2/c1-2-15-3-5-16(6-4-15)7-8-17(25)22-9-11-23(12-10-22)18(26)13-24-14-19-20-21-24/h3-6,14H,2,7-13H2,1H3
InChIKeyBHUPHGYGIWJPPH-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one
CID 78875804
3-(2-bromophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
CID 78905433
3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
CID 78905113
3-(4-ethylphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 110709163
1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 78905080
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 120741509
3-(4-ethylphenyl)-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798892
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 110854151
1-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78904571
1-[4-(3-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78904992
1-(4-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one;hydrochloride
CID 119374555

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one (CID 78904858) is 3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one is CCc1ccc(CCC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is BHUPHGYGIWJPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-2-15-3-5-16(6-4-15)7-8-17(25)22-9-11-23(12-10-22)18(26)13-24-14-19-20-21-24/h3-6,14H,2,7-13H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one?
3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 356.43 g/mol, XLogP of 0.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 78904858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).