1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one

C15H20N6O2 — CID 45148172

IUPAC1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one
SMILESCC(Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCN(C)CC1
InChIInChI=1S/C15H20N6O2/c1-12(15(22)20-9-7-19(2)8-10-20)23-14-5-3-13(4-6-14)21-11-16-17-18-21/h3-6,11-12H,7-10H2,1-2H3
InChIKeyDIAOZQJGXAHPRX-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.20
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one

1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one (PubChem CID 45148172) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one
PubChem CID45148172
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one
SMILESCC(Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCN(C)CC1
InChIInChI=1S/C15H20N6O2/c1-12(15(22)20-9-7-19(2)8-10-20)23-14-5-3-13(4-6-14)21-11-16-17-18-21/h3-6,11-12H,7-10H2,1-2H3
InChIKeyDIAOZQJGXAHPRX-UHFFFAOYSA-N
XLogP0.20
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one
CID 35329909
2-[4-(tetrazol-1-yl)phenoxy]propanoic acid
CID 6485344
(3S)-N-cyclopropyl-1-[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide
CID 100815671
(3R)-N-cyclopropyl-1-[(2R)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]piperidine-3-carboxamide
CID 100815668
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 7500751
(2R)-1-[(2R)-2-(azepan-1-ylmethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one
CID 51583692
2-(4-fluorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 17165814
N-(4-acetylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 42903595
4-[[[(2S)-2-[4-(tetrazol-1-yl)phenoxy]propanoyl]amino]methyl]benzoic acid
CID 35330055
4-[[2-[4-(tetrazol-1-yl)phenoxy]propanoylamino]methyl]benzoic acid
CID 45148199
[4-(tetrazol-1-yl)phenyl] (2S)-2-(3,5-dimethylphenoxy)propanoate
CID 26822159
1-(4-methylpiperazin-1-yl)-2-(4-quinoxalin-2-ylphenoxy)propan-1-one
CID 53001293

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one (CID 45148172) is 1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one is CC(Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one?
The InChIKey is DIAOZQJGXAHPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-12(15(22)20-9-7-19(2)8-10-20)23-14-5-3-13(4-6-14)21-11-16-17-18-21/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one?
1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one has a molecular weight of 316.37 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one is sourced from PubChem (CID 45148172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).