N-[[1-[2-(5,7-dioxo-1-azaspiro[3.4]octan-6-yl)ethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide

C23H27F4N3O3 — CID 71295573

IUPACN-[[1-[2-(5,7-dioxo-1-azaspiro[3.4]octan-6-yl)ethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(NCC1CCN(CCC2C(=O)CC3(CCN3)C2=O)CC1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C23H27F4N3O3/c24-17-10-15(9-16(11-17)23(25,26)27)21(33)28-13-14-1-6-30(7-2-14)8-3-18-19(31)12-22(20(18)32)4-5-29-22/h9-11,14,18,29H,1-8,12-13H2,(H,28,33)
InChIKeyFBODFIIQENEMDO-UHFFFAOYSA-N
MW469.48 g/mol
LogP2.57
Rot. Bonds6

About N-[[1-[2-(5,7-dioxo-1-azaspiro[3.4]octan-6-yl)ethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide

N-[[1-[2-(5,7-dioxo-1-azaspiro[3.4]octan-6-yl)ethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 71295573) has the molecular formula C23H27F4N3O3 and a molecular weight of 469.48 g/mol. Its IUPAC name is N-[[1-[2-(5,7-dioxo-1-azaspiro[3.4]octan-6-yl)ethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[1-[2-(5,7-dioxo-1-azaspiro[3.4]octan-6-yl)ethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide
PubChem CID71295573
Molecular FormulaC23H27F4N3O3
Molecular Weight469.48 g/mol
Exact Mass469.20
IUPAC NameN-[[1-[2-(5,7-dioxo-1-azaspiro[3.4]octan-6-yl)ethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(NCC1CCN(CCC2C(=O)CC3(CCN3)C2=O)CC1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C23H27F4N3O3/c24-17-10-15(9-16(11-17)23(25,26)27)21(33)28-13-14-1-6-30(7-2-14)8-3-18-19(31)12-22(20(18)32)4-5-29-22/h9-11,14,18,29H,1-8,12-13H2,(H,28,33)
InChIKeyFBODFIIQENEMDO-UHFFFAOYSA-N
XLogP2.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 134422953
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 44540145
3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 99849672
N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 123412557
3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 86886749
N-[[1-[6,6-bis(4-fluorophenyl)hexanoyl]pyrrolidin-3-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 11307701
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(iodomethyl)-5-(trifluoromethyl)benzamide
CID 89410604
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
N-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide
CID 67567698
N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 119461836
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 60598298
2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide
CID 90650438

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(5,7-dioxo-1-azaspiro[3.4]octan-6-yl)ethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[[1-[2-(5,7-dioxo-1-azaspiro[3.4]octan-6-yl)ethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide (CID 71295573) is N-[[1-[2-(5,7-dioxo-1-azaspiro[3.4]octan-6-yl)ethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[1-[2-(5,7-dioxo-1-azaspiro[3.4]octan-6-yl)ethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[1-[2-(5,7-dioxo-1-azaspiro[3.4]octan-6-yl)ethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide is O=C(NCC1CCN(CCC2C(=O)CC3(CCN3)C2=O)CC1)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[1-[2-(5,7-dioxo-1-azaspiro[3.4]octan-6-yl)ethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is FBODFIIQENEMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F4N3O3/c24-17-10-15(9-16(11-17)23(25,26)27)21(33)28-13-14-1-6-30(7-2-14)8-3-18-19(31)12-22(20(18)32)4-5-29-22/h9-11,14,18,29H,1-8,12-13H2,(H,28,33).
What are the key properties of N-[[1-[2-(5,7-dioxo-1-azaspiro[3.4]octan-6-yl)ethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide?
N-[[1-[2-(5,7-dioxo-1-azaspiro[3.4]octan-6-yl)ethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 469.48 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(5,7-dioxo-1-azaspiro[3.4]octan-6-yl)ethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 71295573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).