2-[4-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C22H27F3N4O4 — CID 29104833

IUPAC2-[4-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H27F3N4O4/c23-22(24,25)33-17-5-3-16(4-6-17)26-18(30)14-27-9-11-28(12-10-27)15-29-19(31)13-21(20(29)32)7-1-2-8-21/h3-6H,1-2,7-15H2,(H,26,30)
InChIKeyYWVFNGGKCXKKHF-UHFFFAOYSA-N
MW468.48 g/mol
LogP2.42
Rot. Bonds6

About 2-[4-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[4-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 29104833) has the molecular formula C22H27F3N4O4 and a molecular weight of 468.48 g/mol. Its IUPAC name is 2-[4-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID29104833
Molecular FormulaC22H27F3N4O4
Molecular Weight468.48 g/mol
Exact Mass468.20
IUPAC Name2-[4-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H27F3N4O4/c23-22(24,25)33-17-5-3-16(4-6-17)26-18(30)14-27-9-11-28(12-10-27)15-29-19(31)13-21(20(29)32)7-1-2-8-21/h3-6H,1-2,7-15H2,(H,26,30)
InChIKeyYWVFNGGKCXKKHF-UHFFFAOYSA-N
XLogP2.42
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711300
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8804725
2-[4-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 30636345
2-[4-(4-methylbenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020888
N-[(4-fluorophenyl)methyl]-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide
CID 29164830
2-[4-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29164788
N-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide
CID 9435405
2-[4-[2-(3-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29164778
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9129907
2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 34781907
2-[4-(prop-2-enylcarbamothioyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9215439

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 29104833) is 2-[4-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CN1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is YWVFNGGKCXKKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O4/c23-22(24,25)33-17-5-3-16(4-6-17)26-18(30)14-27-9-11-28(12-10-27)15-29-19(31)13-21(20(29)32)7-1-2-8-21/h3-6H,1-2,7-15H2,(H,26,30).
What are the key properties of 2-[4-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[4-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 468.48 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 29104833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).