2-[2-(tetrazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

C11H16N6O2 — CID 72848452

IUPAC2-[2-(tetrazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(Cn1cnnn1)N1CCC2(CCCNC2=O)C1
InChIInChI=1S/C11H16N6O2/c18-9(6-17-8-13-14-15-17)16-5-3-11(7-16)2-1-4-12-10(11)19/h8H,1-7H2,(H,12,19)
InChIKeyREPJNNCQYYPFOV-UHFFFAOYSA-N
MW264.29 g/mol
LogP-1.20
Rot. Bonds2

About 2-[2-(tetrazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

2-[2-(tetrazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72848452) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-[2-(tetrazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[2-(tetrazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72848452
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name2-[2-(tetrazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(Cn1cnnn1)N1CCC2(CCCNC2=O)C1
InChIInChI=1S/C11H16N6O2/c18-9(6-17-8-13-14-15-17)16-5-3-11(7-16)2-1-4-12-10(11)19/h8H,1-7H2,(H,12,19)
InChIKeyREPJNNCQYYPFOV-UHFFFAOYSA-N
XLogP-1.20
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72913400
2-isobutyl-8-(1H-tetrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72918164
7-methyl-2-[4-(1H-tetrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56739421
(4R)-1-(cyclohexylmethyl)-N-isobutyl-4-(1H-tetrazol-1-yl)-L-prolinamide
CID 26353623
N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 47043968
1-(3-Pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 54885759
7-Methyl-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56746017
1-[2-(2,7-diazaspiro[4.5]dec-7-yl)-2-oxoethyl]-1H-tetrazol-5-amine
CID 56760703
8-methyl-2-propyl-N-[3-(1H-1,2,4-triazol-1-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56887326
8-methyl-2-propyl-N-[3-(1,2,4-triazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56891980
2-(1-pyrrolidinylcarbonyl)-1-[4-(1H-tetrazol-1-yl)butanoyl]piperazine
CID 56898230
8-methyl-2-propyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56906912

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tetrazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[2-(tetrazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72848452) is 2-[2-(tetrazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[2-(tetrazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[2-(tetrazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is O=C(Cn1cnnn1)N1CCC2(CCCNC2=O)C1.
What is the InChIKey of 2-[2-(tetrazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is REPJNNCQYYPFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c18-9(6-17-8-13-14-15-17)16-5-3-11(7-16)2-1-4-12-10(11)19/h8H,1-7H2,(H,12,19).
What are the key properties of 2-[2-(tetrazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
2-[2-(tetrazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 264.29 g/mol, XLogP of -1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tetrazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72848452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).