[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone

C18H28N4O2 — CID 91922194

IUPAC[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)c1ccn[nH]1)CC2
InChIInChI=1S/C18H28N4O2/c1-24-12-14-11-22(15-3-2-4-15)13-18(14)6-9-21(10-7-18)17(23)16-5-8-19-20-16/h5,8,14-15H,2-4,6-7,9-13H2,1H3,(H,19,20)
InChIKeyYXZOYZUAAWNAKP-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.76
Rot. Bonds4

About [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone

[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 91922194) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID91922194
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)c1ccn[nH]1)CC2
InChIInChI=1S/C18H28N4O2/c1-24-12-14-11-22(15-3-2-4-15)13-18(14)6-9-21(10-7-18)17(23)16-5-8-19-20-16/h5,8,14-15H,2-4,6-7,9-13H2,1H3,(H,19,20)
InChIKeyYXZOYZUAAWNAKP-UHFFFAOYSA-N
XLogP1.76
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone (CID 91922194) is [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone is COCC1CN(C2CCC2)CC12CCN(C(=O)c1ccn[nH]1)CC2.
What is the InChIKey of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is YXZOYZUAAWNAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-24-12-14-11-22(15-3-2-4-15)13-18(14)6-9-21(10-7-18)17(23)16-5-8-19-20-16/h5,8,14-15H,2-4,6-7,9-13H2,1H3,(H,19,20).
What are the key properties of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone?
[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 332.45 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 91922194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).