(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone

C18H24N6O — CID 50971840

IUPAC(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone
SMILESCN1CCC2(CC1)CCN(C(=O)c1ccc(-c3nnn(C)n3)cc1)C2
InChIInChI=1S/C18H24N6O/c1-22-10-7-18(8-11-22)9-12-24(13-18)17(25)15-5-3-14(4-6-15)16-19-21-23(2)20-16/h3-6H,7-13H2,1-2H3
InChIKeyHXYOWBYKJWNJBB-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.43
Rot. Bonds2

About (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone

(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone (PubChem CID 50971840) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone
PubChem CID50971840
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone
SMILESCN1CCC2(CC1)CCN(C(=O)c1ccc(-c3nnn(C)n3)cc1)C2
InChIInChI=1S/C18H24N6O/c1-22-10-7-18(8-11-22)9-12-24(13-18)17(25)15-5-3-14(4-6-15)16-19-21-23(2)20-16/h3-6H,7-13H2,1-2H3
InChIKeyHXYOWBYKJWNJBB-UHFFFAOYSA-N
XLogP1.43
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone?
The IUPAC name of (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone (CID 50971840) is (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone.
What is the SMILES notation for (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone?
The canonical SMILES for (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone is CN1CCC2(CC1)CCN(C(=O)c1ccc(-c3nnn(C)n3)cc1)C2.
What is the InChIKey of (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone?
The InChIKey is HXYOWBYKJWNJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-22-10-7-18(8-11-22)9-12-24(13-18)17(25)15-5-3-14(4-6-15)16-19-21-23(2)20-16/h3-6H,7-13H2,1-2H3.
What are the key properties of (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone?
(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone has a molecular weight of 340.43 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 50971840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).