8-(cyclobutanecarbonyl)-4-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-3-one

C17H29N3O2 — CID 42823947

IUPAC8-(cyclobutanecarbonyl)-4-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCCC(C)CN1C(=O)CNC12CCN(C(=O)C1CCC1)CC2
InChIInChI=1S/C17H29N3O2/c1-3-13(2)12-20-15(21)11-18-17(20)7-9-19(10-8-17)16(22)14-5-4-6-14/h13-14,18H,3-12H2,1-2H3
InChIKeyNKNXPVHCZHLQCY-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.58
Rot. Bonds4

About 8-(cyclobutanecarbonyl)-4-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-3-one

8-(cyclobutanecarbonyl)-4-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 42823947) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 8-(cyclobutanecarbonyl)-4-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(cyclobutanecarbonyl)-4-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID42823947
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name8-(cyclobutanecarbonyl)-4-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCCC(C)CN1C(=O)CNC12CCN(C(=O)C1CCC1)CC2
InChIInChI=1S/C17H29N3O2/c1-3-13(2)12-20-15(21)11-18-17(20)7-9-19(10-8-17)16(22)14-5-4-6-14/h13-14,18H,3-12H2,1-2H3
InChIKeyNKNXPVHCZHLQCY-UHFFFAOYSA-N
XLogP1.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclobutanecarbonyl)-4-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(cyclobutanecarbonyl)-4-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-3-one (CID 42823947) is 8-(cyclobutanecarbonyl)-4-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(cyclobutanecarbonyl)-4-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(cyclobutanecarbonyl)-4-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-3-one is CCC(C)CN1C(=O)CNC12CCN(C(=O)C1CCC1)CC2.
What is the InChIKey of 8-(cyclobutanecarbonyl)-4-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is NKNXPVHCZHLQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-3-13(2)12-20-15(21)11-18-17(20)7-9-19(10-8-17)16(22)14-5-4-6-14/h13-14,18H,3-12H2,1-2H3.
What are the key properties of 8-(cyclobutanecarbonyl)-4-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-3-one?
8-(cyclobutanecarbonyl)-4-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 307.44 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclobutanecarbonyl)-4-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 42823947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).