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

C19H30N4O2 — CID 91922209

IUPAC[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)c1nccn1C)CC2
InChIInChI=1S/C19H30N4O2/c1-21-11-8-20-17(21)18(24)22-9-6-19(7-10-22)14-23(16-4-3-5-16)12-15(19)13-25-2/h8,11,15-16H,3-7,9-10,12-14H2,1-2H3
InChIKeyRAIDPOCPWUXINX-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.77
Rot. Bonds4

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

[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 91922209) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID91922209
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)c1nccn1C)CC2
InChIInChI=1S/C19H30N4O2/c1-21-11-8-20-17(21)18(24)22-9-6-19(7-10-22)14-23(16-4-3-5-16)12-15(19)13-25-2/h8,11,15-16H,3-7,9-10,12-14H2,1-2H3
InChIKeyRAIDPOCPWUXINX-UHFFFAOYSA-N
XLogP1.77
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone (CID 91922209) is [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone is COCC1CN(C2CCC2)CC12CCN(C(=O)c1nccn1C)CC2.
What is the InChIKey of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is RAIDPOCPWUXINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-21-11-8-20-17(21)18(24)22-9-6-19(7-10-22)14-23(16-4-3-5-16)12-15(19)13-25-2/h8,11,15-16H,3-7,9-10,12-14H2,1-2H3.
What are the key properties of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone?
[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 346.48 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 91922209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).