2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide

C22H22F6N2O2 — CID 87675846

IUPAC2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccccc2)C1
InChIInChI=1S/C22H22F6N2O2/c23-21(24,25)16-8-14(9-17(10-16)22(26,27)28)13-32-19-6-7-30(12-20(29)31)11-18(19)15-4-2-1-3-5-15/h1-5,8-10,18-19H,6-7,11-13H2,(H2,29,31)
InChIKeyDMEWDBZLDHWCJL-UHFFFAOYSA-N
MW460.42 g/mol
LogP4.58
Rot. Bonds6

About 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide

2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide (PubChem CID 87675846) has the molecular formula C22H22F6N2O2 and a molecular weight of 460.42 g/mol. Its IUPAC name is 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide
PubChem CID87675846
Molecular FormulaC22H22F6N2O2
Molecular Weight460.42 g/mol
Exact Mass460.16
IUPAC Name2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccccc2)C1
InChIInChI=1S/C22H22F6N2O2/c23-21(24,25)16-8-14(9-17(10-16)22(26,27)28)13-32-19-6-7-30(12-20(29)31)11-18(19)15-4-2-1-3-5-15/h1-5,8-10,18-19H,6-7,11-13H2,(H2,29,31)
InChIKeyDMEWDBZLDHWCJL-UHFFFAOYSA-N
XLogP4.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]ethanone
CID 86606806
2-(4-acetylpiperazin-1-yl)-1-[(3R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]ethanone
CID 86606833
1-[4-[(3S,4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 87677296
[(3R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 87678551
4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenyl-N-propylpiperidine-1-carboxamide
CID 87676901
[(3S,4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 87677853
2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]acetic acid
CID 19379348
2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetamide
CID 10298340
2-[[(1R,2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]amino]acetamide
CID 10049890
[(3S,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluorophenyl)piperidin-1-yl]-cyclopentylmethanone
CID 143258439
tert-butyl 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(4-fluorophenyl)piperidine-1-carboxylate
CID 87677358
3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentan-1-amine
CID 75024257

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide (CID 87675846) is 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide is NC(=O)CN1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccccc2)C1.
What is the InChIKey of 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide?
The InChIKey is DMEWDBZLDHWCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F6N2O2/c23-21(24,25)16-8-14(9-17(10-16)22(26,27)28)13-32-19-6-7-30(12-20(29)31)11-18(19)15-4-2-1-3-5-15/h1-5,8-10,18-19H,6-7,11-13H2,(H2,29,31).
What are the key properties of 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide?
2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide has a molecular weight of 460.42 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide is sourced from PubChem (CID 87675846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).