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

C22H22F6N2O2 — CID 23204459

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-phenylpiperidin-4-yl)methoxy]acetamide
SMILESNC(=O)C(OCC1(c2ccccc2)CCNCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H22F6N2O2/c23-21(24,25)16-10-14(11-17(12-16)22(26,27)28)18(19(29)31)32-13-20(6-8-30-9-7-20)15-4-2-1-3-5-15/h1-5,10-12,18,30H,6-9,13H2,(H2,29,31)
InChIKeyDNIRQDDPCRREHJ-UHFFFAOYSA-N
MW460.42 g/mol
LogP4.59
Rot. Bonds6

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

2-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-phenylpiperidin-4-yl)methoxy]acetamide (PubChem CID 23204459) has the molecular formula C22H22F6N2O2 and a molecular weight of 460.42 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-phenylpiperidin-4-yl)methoxy]acetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-phenylpiperidin-4-yl)methoxy]acetamide
PubChem CID23204459
Molecular FormulaC22H22F6N2O2
Molecular Weight460.42 g/mol
Exact Mass460.16
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-phenylpiperidin-4-yl)methoxy]acetamide
SMILESNC(=O)C(OCC1(c2ccccc2)CCNCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H22F6N2O2/c23-21(24,25)16-10-14(11-17(12-16)22(26,27)28)18(19(29)31)32-13-20(6-8-30-9-7-20)15-4-2-1-3-5-15/h1-5,10-12,18,30H,6-9,13H2,(H2,29,31)
InChIKeyDNIRQDDPCRREHJ-UHFFFAOYSA-N
XLogP4.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.42
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-4-yl)propan-1-ol
CID 22918543
1-amino-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-phenylcyclobutane-1-carboxamide
CID 20774460
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(4-phenylpiperidin-4-yl)acetamide
CID 87666594
1-amino-4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-N-methyl-4-phenylcyclohexane-1-carboxamide
CID 23574747
(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylazepane
CID 11654898
3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)aniline
CID 143563799
methyl 1-[(2-aminoacetyl)amino]-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenylcyclohexane-1-carboxylate
CID 58238861
2-[4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-methyl-4-phenylcyclohexyl]propan-2-ol
CID 58238890
N-[[1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutyl]methyl]-2-methylpropanamide
CID 59997404
7-[1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole
CID 25159918
2-[3,5-bis(trifluoromethyl)phenyl]-2-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methoxy]ethanol
CID 149431985
8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 58633759

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-phenylpiperidin-4-yl)methoxy]acetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-phenylpiperidin-4-yl)methoxy]acetamide (CID 23204459) is 2-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-phenylpiperidin-4-yl)methoxy]acetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-phenylpiperidin-4-yl)methoxy]acetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-phenylpiperidin-4-yl)methoxy]acetamide is NC(=O)C(OCC1(c2ccccc2)CCNCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-phenylpiperidin-4-yl)methoxy]acetamide?
The InChIKey is DNIRQDDPCRREHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F6N2O2/c23-21(24,25)16-10-14(11-17(12-16)22(26,27)28)18(19(29)31)32-13-20(6-8-30-9-7-20)15-4-2-1-3-5-15/h1-5,10-12,18,30H,6-9,13H2,(H2,29,31).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-phenylpiperidin-4-yl)methoxy]acetamide?
2-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-phenylpiperidin-4-yl)methoxy]acetamide has a molecular weight of 460.42 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-phenylpiperidin-4-yl)methoxy]acetamide is sourced from PubChem (CID 23204459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).