7-methyl-3-[4-(tetrazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one

C15H25N7O2 — CID 119071322

IUPAC7-methyl-3-[4-(tetrazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one
SMILESCN1CCCNC(=O)C12CCN(C(=O)CCCn1cnnn1)CC2
InChIInChI=1S/C15H25N7O2/c1-20-8-3-7-16-14(24)15(20)5-10-21(11-6-15)13(23)4-2-9-22-12-17-18-19-22/h12H,2-11H2,1H3,(H,16,24)
InChIKeyFKQIETYSBIPZLA-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.73
Rot. Bonds4

About 7-methyl-3-[4-(tetrazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one

7-methyl-3-[4-(tetrazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one (PubChem CID 119071322) has the molecular formula C15H25N7O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 7-methyl-3-[4-(tetrazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one.

Molecular Properties

Compound Name7-methyl-3-[4-(tetrazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one
PubChem CID119071322
Molecular FormulaC15H25N7O2
Molecular Weight335.41 g/mol
Exact Mass335.21
IUPAC Name7-methyl-3-[4-(tetrazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one
SMILESCN1CCCNC(=O)C12CCN(C(=O)CCCn1cnnn1)CC2
InChIInChI=1S/C15H25N7O2/c1-20-8-3-7-16-14(24)15(20)5-10-21(11-6-15)13(23)4-2-9-22-12-17-18-19-22/h12H,2-11H2,1H3,(H,16,24)
InChIKeyFKQIETYSBIPZLA-UHFFFAOYSA-N
XLogP-0.73
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-methyl-3-[4-(tetrazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one with MolForge

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Related Compounds

3-(2-indazol-2-ylacetyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56746464
1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one
CID 56894938
3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56753419
9-[2-(azocan-1-yl)acetyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56738774
3-[2-(2,5-dimethoxyphenyl)acetyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56743458
1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(tetrazol-1-yl)propan-1-one
CID 72905521
1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one
CID 78875804
ethyl (2S)-2-[(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carbonyl)amino]propanoate
CID 95219186
N-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide
CID 119064340
1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-4-(tetrazol-1-yl)butan-1-one
CID 72915836
3-methyl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-3-carbonitrile
CID 131924559
(4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97206608

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[4-(tetrazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one?
The IUPAC name of 7-methyl-3-[4-(tetrazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one (CID 119071322) is 7-methyl-3-[4-(tetrazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one.
What is the SMILES notation for 7-methyl-3-[4-(tetrazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one?
The canonical SMILES for 7-methyl-3-[4-(tetrazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one is CN1CCCNC(=O)C12CCN(C(=O)CCCn1cnnn1)CC2.
What is the InChIKey of 7-methyl-3-[4-(tetrazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one?
The InChIKey is FKQIETYSBIPZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O2/c1-20-8-3-7-16-14(24)15(20)5-10-21(11-6-15)13(23)4-2-9-22-12-17-18-19-22/h12H,2-11H2,1H3,(H,16,24).
What are the key properties of 7-methyl-3-[4-(tetrazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one?
7-methyl-3-[4-(tetrazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one has a molecular weight of 335.41 g/mol, XLogP of -0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[4-(tetrazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one is sourced from PubChem (CID 119071322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).