N-cyclopentyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide

C19H24F3N3O2 — CID 24817667

IUPACN-cyclopentyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NC1CCCC1
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)15-8-4-1-5-13(15)12-25-10-9-23-18(27)16(25)11-17(26)24-14-6-2-3-7-14/h1,4-5,8,14,16H,2-3,6-7,9-12H2,(H,23,27)(H,24,26)
InChIKeyDJMBZMZTQOCIMD-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.45
Rot. Bonds5

About N-cyclopentyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide

N-cyclopentyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (PubChem CID 24817667) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
PubChem CID24817667
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC NameN-cyclopentyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NC1CCCC1
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)15-8-4-1-5-13(15)12-25-10-9-23-18(27)16(25)11-17(26)24-14-6-2-3-7-14/h1,4-5,8,14,16H,2-3,6-7,9-12H2,(H,23,27)(H,24,26)
InChIKeyDJMBZMZTQOCIMD-UHFFFAOYSA-N
XLogP2.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (CID 24817667) is N-cyclopentyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is O=C(CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The InChIKey is DJMBZMZTQOCIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c20-19(21,22)15-8-4-1-5-13(15)12-25-10-9-23-18(27)16(25)11-17(26)24-14-6-2-3-7-14/h1,4-5,8,14,16H,2-3,6-7,9-12H2,(H,23,27)(H,24,26).
What are the key properties of N-cyclopentyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
N-cyclopentyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide has a molecular weight of 383.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 24817667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).