1-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

C18H22N6O2 — CID 78905101

IUPAC1-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C18H22N6O2/c25-17(12-24-13-19-20-21-24)22-7-9-23(10-8-22)18(26)16-6-5-14-3-1-2-4-15(14)11-16/h5-6,11,13H,1-4,7-10,12H2
InChIKeyOSNAAYOYMAZQDW-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.54
Rot. Bonds3

About 1-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 78905101) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID78905101
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name1-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C18H22N6O2/c25-17(12-24-13-19-20-21-24)22-7-9-23(10-8-22)18(26)16-6-5-14-3-1-2-4-15(14)11-16/h5-6,11,13H,1-4,7-10,12H2
InChIKeyOSNAAYOYMAZQDW-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone with MolForge

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Related Compounds

1-[4-(3-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78904992
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 132968742
phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 84543270
1-[4-(4-bromo-2-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905435
N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazine-1-carboxamide
CID 38724077
1-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone
CID 47031244
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 131960673
1-[4-[2-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazol-3-yl]azepan-1-yl]-2-(tetrazol-1-yl)ethanone
CID 137339065
3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
CID 78904858
1-[4-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905371
1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905566
(4-methylsulfonylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 51305545

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 78905101) is 1-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of 1-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is OSNAAYOYMAZQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c25-17(12-24-13-19-20-21-24)22-7-9-23(10-8-22)18(26)16-6-5-14-3-1-2-4-15(14)11-16/h5-6,11,13H,1-4,7-10,12H2.
What are the key properties of 1-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 354.41 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 78905101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).