1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone

C20H26N6O3 — CID 3262527

IUPAC1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone
SMILESCCOc1ccc(C(=O)N2CCC3(CCN(C(=O)Cn4cnnn4)C3)CC2)cc1
InChIInChI=1S/C20H26N6O3/c1-2-29-17-5-3-16(4-6-17)19(28)24-10-7-20(8-11-24)9-12-25(14-20)18(27)13-26-15-21-22-23-26/h3-6,15H,2,7-14H2,1H3
InChIKeyQEHXXMRVXXZFDS-UHFFFAOYSA-N
MW398.47 g/mol
LogP1.23
Rot. Bonds5

About 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone

1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 3262527) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID3262527
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone
SMILESCCOc1ccc(C(=O)N2CCC3(CCN(C(=O)Cn4cnnn4)C3)CC2)cc1
InChIInChI=1S/C20H26N6O3/c1-2-29-17-5-3-16(4-6-17)19(28)24-10-7-20(8-11-24)9-12-25(14-20)18(27)13-26-15-21-22-23-26/h3-6,15H,2,7-14H2,1H3
InChIKeyQEHXXMRVXXZFDS-UHFFFAOYSA-N
XLogP1.23
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone with MolForge

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Related Compounds

aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one
CID 3808183
3-[2-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one
CID 3504433
[2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone
CID 4296379
1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 3824111
[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone
CID 3870849
1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 5174173
1-[4-(3-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78904992
N-(4-bromo-2-chlorophenyl)-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 3861917
1-[2-(2,4-dimethylcyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone
CID 167968288
8-(4-ethoxybenzoyl)-N-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbothioamide
CID 3672245
1-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905101

Frequently Asked Questions

What is the IUPAC name of 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone (CID 3262527) is 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone is CCOc1ccc(C(=O)N2CCC3(CCN(C(=O)Cn4cnnn4)C3)CC2)cc1.
What is the InChIKey of 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is QEHXXMRVXXZFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-2-29-17-5-3-16(4-6-17)19(28)24-10-7-20(8-11-24)9-12-25(14-20)18(27)13-26-15-21-22-23-26/h3-6,15H,2,7-14H2,1H3.
What are the key properties of 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone?
1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 398.47 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 3262527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).