1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone

C18H26FN7O — CID 25289847

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone
SMILESCC(C)N(C)Cc1nnnn1CC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H26FN7O/c1-14(2)23(3)12-17-20-21-22-26(17)13-18(27)25-10-8-24(9-11-25)16-7-5-4-6-15(16)19/h4-7,14H,8-13H2,1-3H3
InChIKeyUVKJNRIHLHMPCG-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.00
Rot. Bonds6

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone (PubChem CID 25289847) has the molecular formula C18H26FN7O and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone
PubChem CID25289847
Molecular FormulaC18H26FN7O
Molecular Weight375.45 g/mol
Exact Mass375.22
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone
SMILESCC(C)N(C)Cc1nnnn1CC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H26FN7O/c1-14(2)23(3)12-17-20-21-22-26(17)13-18(27)25-10-8-24(9-11-25)16-7-5-4-6-15(16)19/h4-7,14H,8-13H2,1-3H3
InChIKeyUVKJNRIHLHMPCG-UHFFFAOYSA-N
XLogP1.00
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone (CID 25289847) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone is CC(C)N(C)Cc1nnnn1CC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone?
The InChIKey is UVKJNRIHLHMPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN7O/c1-14(2)23(3)12-17-20-21-22-26(17)13-18(27)25-10-8-24(9-11-25)16-7-5-4-6-15(16)19/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone has a molecular weight of 375.45 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone is sourced from PubChem (CID 25289847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).