N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

C17H32F3N3O2 — CID 170569500

IUPACN-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCN(CCCOC(C)C)C(CC(F)(F)F)C1
InChIInChI=1S/C17H32F3N3O2/c1-13(2)21-16(24)12-22-7-8-23(6-5-9-25-14(3)4)15(11-22)10-17(18,19)20/h13-15H,5-12H2,1-4H3,(H,21,24)
InChIKeyHMNOQOQAQDYPLW-UHFFFAOYSA-N
MW367.46 g/mol
LogP2.26
Rot. Bonds9

About N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (PubChem CID 170569500) has the molecular formula C17H32F3N3O2 and a molecular weight of 367.46 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
PubChem CID170569500
Molecular FormulaC17H32F3N3O2
Molecular Weight367.46 g/mol
Exact Mass367.24
IUPAC NameN-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCN(CCCOC(C)C)C(CC(F)(F)F)C1
InChIInChI=1S/C17H32F3N3O2/c1-13(2)21-16(24)12-22-7-8-23(6-5-9-25-14(3)4)15(11-22)10-17(18,19)20/h13-15H,5-12H2,1-4H3,(H,21,24)
InChIKeyHMNOQOQAQDYPLW-UHFFFAOYSA-N
XLogP2.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (CID 170569500) is N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is CC(C)NC(=O)CN1CCN(CCCOC(C)C)C(CC(F)(F)F)C1.
What is the InChIKey of N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The InChIKey is HMNOQOQAQDYPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F3N3O2/c1-13(2)21-16(24)12-22-7-8-23(6-5-9-25-14(3)4)15(11-22)10-17(18,19)20/h13-15H,5-12H2,1-4H3,(H,21,24).
What are the key properties of N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide has a molecular weight of 367.46 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 170569500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).