2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one

C18H24FN3O — CID 118746897

IUPAC2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2cccc(F)c2)CC12CCN(CC1CC1)C2
InChIInChI=1S/C18H24FN3O/c1-20-11-17(23)22(16-4-2-3-15(19)9-16)13-18(20)7-8-21(12-18)10-14-5-6-14/h2-4,9,14H,5-8,10-13H2,1H3
InChIKeyXBWZRLRBHUMFIQ-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.96
Rot. Bonds3

About 2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one

2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 118746897) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID118746897
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2cccc(F)c2)CC12CCN(CC1CC1)C2
InChIInChI=1S/C18H24FN3O/c1-20-11-17(23)22(16-4-2-3-15(19)9-16)13-18(20)7-8-21(12-18)10-14-5-6-14/h2-4,9,14H,5-8,10-13H2,1H3
InChIKeyXBWZRLRBHUMFIQ-UHFFFAOYSA-N
XLogP1.96
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one (CID 118746897) is 2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2cccc(F)c2)CC12CCN(CC1CC1)C2.
What is the InChIKey of 2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is XBWZRLRBHUMFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-20-11-17(23)22(16-4-2-3-15(19)9-16)13-18(20)7-8-21(12-18)10-14-5-6-14/h2-4,9,14H,5-8,10-13H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one?
2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 317.41 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 118746897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).