2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one

C18H25N3O — CID 118746984

IUPAC2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2ccccc2)CC12CCN(CC1CC1)C2
InChIInChI=1S/C18H25N3O/c1-19-12-17(22)21(16-5-3-2-4-6-16)14-18(19)9-10-20(13-18)11-15-7-8-15/h2-6,15H,7-14H2,1H3
InChIKeyMAIBPRJJOSTXFY-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.82
Rot. Bonds3

About 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one

2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 118746984) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID118746984
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2ccccc2)CC12CCN(CC1CC1)C2
InChIInChI=1S/C18H25N3O/c1-19-12-17(22)21(16-5-3-2-4-6-16)14-18(19)9-10-20(13-18)11-15-7-8-15/h2-6,15H,7-14H2,1H3
InChIKeyMAIBPRJJOSTXFY-UHFFFAOYSA-N
XLogP1.82
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one (CID 118746984) is 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2ccccc2)CC12CCN(CC1CC1)C2.
What is the InChIKey of 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is MAIBPRJJOSTXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-19-12-17(22)21(16-5-3-2-4-6-16)14-18(19)9-10-20(13-18)11-15-7-8-15/h2-6,15H,7-14H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 299.42 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 118746984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).