4-fluoro-N-[[1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]piperidin-4-yl]methyl]-3-(trifluoromethoxy)benzamide

C20H22F7N3O3 — CID 170153279

IUPAC4-fluoro-N-[[1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]piperidin-4-yl]methyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(CN1CCC(CNC(=O)c2ccc(F)c(OC(F)(F)F)c2)CC1)NC1(C(F)(F)F)CC1
InChIInChI=1S/C20H22F7N3O3/c21-14-2-1-13(9-15(14)33-20(25,26)27)17(32)28-10-12-3-7-30(8-4-12)11-16(31)29-18(5-6-18)19(22,23)24/h1-2,9,12H,3-8,10-11H2,(H,28,32)(H,29,31)
InChIKeyQREZVRFAPHIHLU-UHFFFAOYSA-N
MW485.40 g/mol
LogP3.38
Rot. Bonds7

About 4-fluoro-N-[[1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]piperidin-4-yl]methyl]-3-(trifluoromethoxy)benzamide

4-fluoro-N-[[1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]piperidin-4-yl]methyl]-3-(trifluoromethoxy)benzamide (PubChem CID 170153279) has the molecular formula C20H22F7N3O3 and a molecular weight of 485.40 g/mol. Its IUPAC name is 4-fluoro-N-[[1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]piperidin-4-yl]methyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]piperidin-4-yl]methyl]-3-(trifluoromethoxy)benzamide
PubChem CID170153279
Molecular FormulaC20H22F7N3O3
Molecular Weight485.40 g/mol
Exact Mass485.15
IUPAC Name4-fluoro-N-[[1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]piperidin-4-yl]methyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(CN1CCC(CNC(=O)c2ccc(F)c(OC(F)(F)F)c2)CC1)NC1(C(F)(F)F)CC1
InChIInChI=1S/C20H22F7N3O3/c21-14-2-1-13(9-15(14)33-20(25,26)27)17(32)28-10-12-3-7-30(8-4-12)11-16(31)29-18(5-6-18)19(22,23)24/h1-2,9,12H,3-8,10-11H2,(H,28,32)(H,29,31)
InChIKeyQREZVRFAPHIHLU-UHFFFAOYSA-N
XLogP3.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[[1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]piperidin-4-yl]methyl]-3-(trifluoromethoxy)benzamide with MolForge

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Related Compounds

3-chloro-5-fluoro-N-[[2-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-2-azaspiro[3.5]nonan-7-yl]methyl]benzamide
CID 169216257
ethane;3-fluoro-N-[[2-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(trifluoromethoxy)benzamide
CID 169216787
3-chloro-5-fluoro-N-[[8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzamide
CID 126736709
3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide
CID 116628568
N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide
CID 106124416
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 44540145
4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 114146256
3-bromo-5-chloro-N-[[1-[2-[(1,2-dimethylcyclobutyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]benzamide
CID 71294916
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
N-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide
CID 67567698
N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 121126883
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 51126349

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]piperidin-4-yl]methyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of 4-fluoro-N-[[1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]piperidin-4-yl]methyl]-3-(trifluoromethoxy)benzamide (CID 170153279) is 4-fluoro-N-[[1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]piperidin-4-yl]methyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for 4-fluoro-N-[[1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]piperidin-4-yl]methyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for 4-fluoro-N-[[1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]piperidin-4-yl]methyl]-3-(trifluoromethoxy)benzamide is O=C(CN1CCC(CNC(=O)c2ccc(F)c(OC(F)(F)F)c2)CC1)NC1(C(F)(F)F)CC1.
What is the InChIKey of 4-fluoro-N-[[1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]piperidin-4-yl]methyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is QREZVRFAPHIHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F7N3O3/c21-14-2-1-13(9-15(14)33-20(25,26)27)17(32)28-10-12-3-7-30(8-4-12)11-16(31)29-18(5-6-18)19(22,23)24/h1-2,9,12H,3-8,10-11H2,(H,28,32)(H,29,31).
What are the key properties of 4-fluoro-N-[[1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]piperidin-4-yl]methyl]-3-(trifluoromethoxy)benzamide?
4-fluoro-N-[[1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]piperidin-4-yl]methyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 485.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]piperidin-4-yl]methyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 170153279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).