2,2,2-trifluoro-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)phenyl]acetamide

C20H29F3N4O2 — CID 87539809

IUPAC2,2,2-trifluoro-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC1CCN(c2cc(N3CCN(CCO)CC3)ccc2NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C20H29F3N4O2/c1-15-4-6-27(7-5-15)18-14-16(26-10-8-25(9-11-26)12-13-28)2-3-17(18)24-19(29)20(21,22)23/h2-3,14-15,28H,4-13H2,1H3,(H,24,29)
InChIKeyABBHBGYPPSGMDX-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.54
Rot. Bonds5

About 2,2,2-trifluoro-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)phenyl]acetamide

2,2,2-trifluoro-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)phenyl]acetamide (PubChem CID 87539809) has the molecular formula C20H29F3N4O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)phenyl]acetamide
PubChem CID87539809
Molecular FormulaC20H29F3N4O2
Molecular Weight414.47 g/mol
Exact Mass414.22
IUPAC Name2,2,2-trifluoro-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC1CCN(c2cc(N3CCN(CCO)CC3)ccc2NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C20H29F3N4O2/c1-15-4-6-27(7-5-15)18-14-16(26-10-8-25(9-11-26)12-13-28)2-3-17(18)24-19(29)20(21,22)23/h2-3,14-15,28H,4-13H2,1H3,(H,24,29)
InChIKeyABBHBGYPPSGMDX-UHFFFAOYSA-N
XLogP2.54
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)phenyl]acetamide (CID 87539809) is 2,2,2-trifluoro-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)phenyl]acetamide is CC1CCN(c2cc(N3CCN(CCO)CC3)ccc2NC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)phenyl]acetamide?
The InChIKey is ABBHBGYPPSGMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N4O2/c1-15-4-6-27(7-5-15)18-14-16(26-10-8-25(9-11-26)12-13-28)2-3-17(18)24-19(29)20(21,22)23/h2-3,14-15,28H,4-13H2,1H3,(H,24,29).
What are the key properties of 2,2,2-trifluoro-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)phenyl]acetamide has a molecular weight of 414.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 87539809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).