N-[3-[[(2-phenylpiperidin-1-yl)amino]methyl]-4-(2,2,2-trifluoroethoxy)phenyl]acetamide

C22H26F3N3O2 — CID 67641583

IUPACN-[3-[[(2-phenylpiperidin-1-yl)amino]methyl]-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(F)(F)F)c(CNN2CCCCC2c2ccccc2)c1
InChIInChI=1S/C22H26F3N3O2/c1-16(29)27-19-10-11-21(30-15-22(23,24)25)18(13-19)14-26-28-12-6-5-9-20(28)17-7-3-2-4-8-17/h2-4,7-8,10-11,13,20,26H,5-6,9,12,14-15H2,1H3,(H,27,29)
InChIKeyHDJLPAVGUUBTHO-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.82
Rot. Bonds7

About N-[3-[[(2-phenylpiperidin-1-yl)amino]methyl]-4-(2,2,2-trifluoroethoxy)phenyl]acetamide

N-[3-[[(2-phenylpiperidin-1-yl)amino]methyl]-4-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 67641583) has the molecular formula C22H26F3N3O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[3-[[(2-phenylpiperidin-1-yl)amino]methyl]-4-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(2-phenylpiperidin-1-yl)amino]methyl]-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID67641583
Molecular FormulaC22H26F3N3O2
Molecular Weight421.46 g/mol
Exact Mass421.20
IUPAC NameN-[3-[[(2-phenylpiperidin-1-yl)amino]methyl]-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(F)(F)F)c(CNN2CCCCC2c2ccccc2)c1
InChIInChI=1S/C22H26F3N3O2/c1-16(29)27-19-10-11-21(30-15-22(23,24)25)18(13-19)14-26-28-12-6-5-9-20(28)17-7-3-2-4-8-17/h2-4,7-8,10-11,13,20,26H,5-6,9,12,14-15H2,1H3,(H,27,29)
InChIKeyHDJLPAVGUUBTHO-UHFFFAOYSA-N
XLogP4.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-phenylpiperidin-1-yl)amino]methyl]-4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of N-[3-[[(2-phenylpiperidin-1-yl)amino]methyl]-4-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 67641583) is N-[3-[[(2-phenylpiperidin-1-yl)amino]methyl]-4-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for N-[3-[[(2-phenylpiperidin-1-yl)amino]methyl]-4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for N-[3-[[(2-phenylpiperidin-1-yl)amino]methyl]-4-(2,2,2-trifluoroethoxy)phenyl]acetamide is CC(=O)Nc1ccc(OCC(F)(F)F)c(CNN2CCCCC2c2ccccc2)c1.
What is the InChIKey of N-[3-[[(2-phenylpiperidin-1-yl)amino]methyl]-4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is HDJLPAVGUUBTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O2/c1-16(29)27-19-10-11-21(30-15-22(23,24)25)18(13-19)14-26-28-12-6-5-9-20(28)17-7-3-2-4-8-17/h2-4,7-8,10-11,13,20,26H,5-6,9,12,14-15H2,1H3,(H,27,29).
What are the key properties of N-[3-[[(2-phenylpiperidin-1-yl)amino]methyl]-4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
N-[3-[[(2-phenylpiperidin-1-yl)amino]methyl]-4-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 421.46 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-phenylpiperidin-1-yl)amino]methyl]-4-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 67641583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).