2-(2-methylpropyl)-8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one

C15H24N6O2 — CID 72918164

IUPAC2-(2-methylpropyl)-8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CN1CC2(CCN(C(=O)Cn3cnnn3)CC2)CC1=O
InChIInChI=1S/C15H24N6O2/c1-12(2)8-20-10-15(7-13(20)22)3-5-19(6-4-15)14(23)9-21-11-16-17-18-21/h11-12H,3-10H2,1-2H3
InChIKeyWVBYWJRWIABIHV-UHFFFAOYSA-N
MW320.40 g/mol
LogP0.17
Rot. Bonds4

About 2-(2-methylpropyl)-8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one

2-(2-methylpropyl)-8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72918164) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(2-methylpropyl)-8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72918164
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name2-(2-methylpropyl)-8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CN1CC2(CCN(C(=O)Cn3cnnn3)CC2)CC1=O
InChIInChI=1S/C15H24N6O2/c1-12(2)8-20-10-15(7-13(20)22)3-5-19(6-4-15)14(23)9-21-11-16-17-18-21/h11-12H,3-10H2,1-2H3
InChIKeyWVBYWJRWIABIHV-UHFFFAOYSA-N
XLogP0.17
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(2-methylpropyl)-8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one (CID 72918164) is 2-(2-methylpropyl)-8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(2-methylpropyl)-8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(2-methylpropyl)-8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one is CC(C)CN1CC2(CCN(C(=O)Cn3cnnn3)CC2)CC1=O.
What is the InChIKey of 2-(2-methylpropyl)-8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is WVBYWJRWIABIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-12(2)8-20-10-15(7-13(20)22)3-5-19(6-4-15)14(23)9-21-11-16-17-18-21/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
2-(2-methylpropyl)-8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 320.40 g/mol, XLogP of 0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72918164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).