1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one

C22H26N6O — CID 134788702

IUPAC1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one
SMILESCCc1cccc(-n2nnnc2N2CCN(C(=O)CCc3ccccc3)CC2)c1
InChIInChI=1S/C22H26N6O/c1-2-18-9-6-10-20(17-18)28-22(23-24-25-28)27-15-13-26(14-16-27)21(29)12-11-19-7-4-3-5-8-19/h3-10,17H,2,11-16H2,1H3
InChIKeyGDAHUWAHFBBOPZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.51
Rot. Bonds6

About 1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one

1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 134788702) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID134788702
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one
SMILESCCc1cccc(-n2nnnc2N2CCN(C(=O)CCc3ccccc3)CC2)c1
InChIInChI=1S/C22H26N6O/c1-2-18-9-6-10-20(17-18)28-22(23-24-25-28)27-15-13-26(14-16-27)21(29)12-11-19-7-4-3-5-8-19/h3-10,17H,2,11-16H2,1H3
InChIKeyGDAHUWAHFBBOPZ-UHFFFAOYSA-N
XLogP2.51
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55636487
4-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(2-phenylpropan-2-yl)piperazine-1-carboxamide
CID 134788594
3-(2-methylpropoxy)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one
CID 55689866
1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-prop-2-enylsulfanylethanone
CID 51086980
1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone
CID 55601179
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one
CID 55636567
(3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 43073604
1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone
CID 55679934
3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
CID 83278566
1-[4-(3-bromo-4-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113077319

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one (CID 134788702) is 1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one is CCc1cccc(-n2nnnc2N2CCN(C(=O)CCc3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is GDAHUWAHFBBOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-2-18-9-6-10-20(17-18)28-22(23-24-25-28)27-15-13-26(14-16-27)21(29)12-11-19-7-4-3-5-8-19/h3-10,17H,2,11-16H2,1H3.
What are the key properties of 1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 390.49 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 134788702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).