N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide

C22H24F3N3O3 — CID 508745

IUPACN-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(CNC(=O)c1cccc(OC(F)(F)F)c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24F3N3O3/c23-22(24,25)31-19-8-4-7-17(13-19)21(30)26-14-20(29)27-18-9-11-28(12-10-18)15-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2,(H,26,30)(H,27,29)
InChIKeyKNTBGCZZTPIELX-UHFFFAOYSA-N
MW435.45 g/mol
LogP3.10
Rot. Bonds7

About N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide

N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide (PubChem CID 508745) has the molecular formula C22H24F3N3O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide
PubChem CID508745
Molecular FormulaC22H24F3N3O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC NameN-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(CNC(=O)c1cccc(OC(F)(F)F)c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24F3N3O3/c23-22(24,25)31-19-8-4-7-17(13-19)21(30)26-14-20(29)27-18-9-11-28(12-10-18)15-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2,(H,26,30)(H,27,29)
InChIKeyKNTBGCZZTPIELX-UHFFFAOYSA-N
XLogP3.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[[(3R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethoxy)benzamide
CID 508875
[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea
CID 75439246
N-[2-[[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 508741
N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide
CID 24818401
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-(trifluoromethoxy)benzamide
CID 24954046
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
N-[2-oxo-2-[[(3R)-1-[2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 46840540
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55735415
3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55945762
[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 3-aminobenzoate
CID 23744527

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide (CID 508745) is N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide is O=C(CNC(=O)c1cccc(OC(F)(F)F)c1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is KNTBGCZZTPIELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3/c23-22(24,25)31-19-8-4-7-17(13-19)21(30)26-14-20(29)27-18-9-11-28(12-10-18)15-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2,(H,26,30)(H,27,29).
What are the key properties of N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide?
N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 435.45 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 508745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).