2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide

C16H20F3N3O — CID 72861534

IUPAC2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESCN1CCC2(CCCN(C(=O)Nc3cc(F)c(F)cc3F)C2)C1
InChIInChI=1S/C16H20F3N3O/c1-21-6-4-16(9-21)3-2-5-22(10-16)15(23)20-14-8-12(18)11(17)7-13(14)19/h7-8H,2-6,9-10H2,1H3,(H,20,23)
InChIKeyROMQBOFTVXFIIU-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.05
Rot. Bonds1

About 2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide

2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide (PubChem CID 72861534) has the molecular formula C16H20F3N3O and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
PubChem CID72861534
Molecular FormulaC16H20F3N3O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC Name2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESCN1CCC2(CCCN(C(=O)Nc3cc(F)c(F)cc3F)C2)C1
InChIInChI=1S/C16H20F3N3O/c1-21-6-4-16(9-21)3-2-5-22(10-16)15(23)20-14-8-12(18)11(17)7-13(14)19/h7-8H,2-6,9-10H2,1H3,(H,20,23)
InChIKeyROMQBOFTVXFIIU-UHFFFAOYSA-N
XLogP3.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide?
The IUPAC name of 2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide (CID 72861534) is 2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for 2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for 2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide is CN1CCC2(CCCN(C(=O)Nc3cc(F)c(F)cc3F)C2)C1.
What is the InChIKey of 2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide?
The InChIKey is ROMQBOFTVXFIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O/c1-21-6-4-16(9-21)3-2-5-22(10-16)15(23)20-14-8-12(18)11(17)7-13(14)19/h7-8H,2-6,9-10H2,1H3,(H,20,23).
What are the key properties of 2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide?
2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide has a molecular weight of 327.35 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 72861534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).