1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone

C18H22N6O3 — CID 118763560

IUPAC1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
SMILESO=C(COc1cccc(-n2cnnn2)c1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C18H22N6O3/c25-17(22-7-9-23(10-8-22)18(26)14-3-1-4-14)12-27-16-6-2-5-15(11-16)24-13-19-20-21-24/h2,5-6,11,13-14H,1,3-4,7-10,12H2
InChIKeyQFEULSQXPLPHMG-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.51
Rot. Bonds5

About 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone

1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone (PubChem CID 118763560) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
PubChem CID118763560
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
SMILESO=C(COc1cccc(-n2cnnn2)c1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C18H22N6O3/c25-17(22-7-9-23(10-8-22)18(26)14-3-1-4-14)12-27-16-6-2-5-15(11-16)24-13-19-20-21-24/h2,5-6,11,13-14H,1,3-4,7-10,12H2
InChIKeyQFEULSQXPLPHMG-UHFFFAOYSA-N
XLogP0.51
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone with MolForge

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 7769219
methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate
CID 7768488
1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 17461140
1-[4-(2-methylsulfanylethyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 118767728
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 17463367
N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26215976
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
1-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 72907199
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110797836
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 41198695
N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769172
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
The IUPAC name of 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone (CID 118763560) is 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone.
What is the SMILES notation for 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
The canonical SMILES for 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone is O=C(COc1cccc(-n2cnnn2)c1)N1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
The InChIKey is QFEULSQXPLPHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c25-17(22-7-9-23(10-8-22)18(26)14-3-1-4-14)12-27-16-6-2-5-15(11-16)24-13-19-20-21-24/h2,5-6,11,13-14H,1,3-4,7-10,12H2.
What are the key properties of 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone has a molecular weight of 370.41 g/mol, XLogP of 0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone is sourced from PubChem (CID 118763560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).