7-methyl-2-[4-(tetrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one

C14H22N6O2 — CID 56739421

IUPAC7-methyl-2-[4-(tetrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)CCCn3cnnn3)C2)C1=O
InChIInChI=1S/C14H22N6O2/c1-18-7-3-5-14(13(18)22)6-9-19(10-14)12(21)4-2-8-20-11-15-16-17-20/h11H,2-10H2,1H3
InChIKeyDFDGWICLMASGKJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.08
Rot. Bonds4

About 7-methyl-2-[4-(tetrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one

7-methyl-2-[4-(tetrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56739421) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 7-methyl-2-[4-(tetrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-methyl-2-[4-(tetrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID56739421
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name7-methyl-2-[4-(tetrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)CCCn3cnnn3)C2)C1=O
InChIInChI=1S/C14H22N6O2/c1-18-7-3-5-14(13(18)22)6-9-19(10-14)12(21)4-2-8-20-11-15-16-17-20/h11H,2-10H2,1H3
InChIKeyDFDGWICLMASGKJ-UHFFFAOYSA-N
XLogP-0.08
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[4-(tetrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-methyl-2-[4-(tetrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one (CID 56739421) is 7-methyl-2-[4-(tetrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-methyl-2-[4-(tetrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-methyl-2-[4-(tetrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one is CN1CCCC2(CCN(C(=O)CCCn3cnnn3)C2)C1=O.
What is the InChIKey of 7-methyl-2-[4-(tetrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is DFDGWICLMASGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-18-7-3-5-14(13(18)22)6-9-19(10-14)12(21)4-2-8-20-11-15-16-17-20/h11H,2-10H2,1H3.
What are the key properties of 7-methyl-2-[4-(tetrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one?
7-methyl-2-[4-(tetrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 306.37 g/mol, XLogP of -0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[4-(tetrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56739421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).