N-benzyl-3-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide

C23H27F3N2O2 — CID 42147497

IUPACN-benzyl-3-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide
SMILESC[C@H](CC(F)(F)F)N1CCC(Oc2cccc(C(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C23H27F3N2O2/c1-17(15-23(24,25)26)28-12-10-20(11-13-28)30-21-9-5-8-19(14-21)22(29)27-16-18-6-3-2-4-7-18/h2-9,14,17,20H,10-13,15-16H2,1H3,(H,27,29)/t17-/m1/s1
InChIKeyMJMMOLQVEVYWLQ-QGZVFWFLSA-N
MW420.48 g/mol
LogP4.80
Rot. Bonds7

About N-benzyl-3-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide

N-benzyl-3-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide (PubChem CID 42147497) has the molecular formula C23H27F3N2O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-benzyl-3-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-benzyl-3-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide
PubChem CID42147497
Molecular FormulaC23H27F3N2O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC NameN-benzyl-3-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide
SMILESC[C@H](CC(F)(F)F)N1CCC(Oc2cccc(C(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C23H27F3N2O2/c1-17(15-23(24,25)26)28-12-10-20(11-13-28)30-21-9-5-8-19(14-21)22(29)27-16-18-6-3-2-4-7-18/h2-9,14,17,20H,10-13,15-16H2,1H3,(H,27,29)/t17-/m1/s1
InChIKeyMJMMOLQVEVYWLQ-QGZVFWFLSA-N
XLogP4.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxybenzamide
CID 42526081
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CID 23723255
N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide
CID 28957115
N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 145485865
N-[(4-fluorophenyl)methyl]-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide
CID 69073982
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide
CID 9253337
[3-[1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25307703
3-chloro-N-cyclopentyl-4-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide
CID 25295558
N-(3-amino-2-methylpropyl)-3-cyclopentyloxybenzamide
CID 119995738
2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide
CID 69193811
N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide?
The IUPAC name of N-benzyl-3-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide (CID 42147497) is N-benzyl-3-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-benzyl-3-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-benzyl-3-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide is C[C@H](CC(F)(F)F)N1CCC(Oc2cccc(C(=O)NCc3ccccc3)c2)CC1.
What is the InChIKey of N-benzyl-3-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide?
The InChIKey is MJMMOLQVEVYWLQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27F3N2O2/c1-17(15-23(24,25)26)28-12-10-20(11-13-28)30-21-9-5-8-19(14-21)22(29)27-16-18-6-3-2-4-7-18/h2-9,14,17,20H,10-13,15-16H2,1H3,(H,27,29)/t17-/m1/s1.
What are the key properties of N-benzyl-3-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide?
N-benzyl-3-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide has a molecular weight of 420.48 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 42147497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).