N-propan-2-yl-2-[(3R)-4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide

C16H30F3N3O2 — CID 170372182

IUPACN-propan-2-yl-2-[(3R)-4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCN(CCCOC(C)C)[C@@H](C(F)(F)F)C1
InChIInChI=1S/C16H30F3N3O2/c1-12(2)20-15(23)11-21-7-8-22(6-5-9-24-13(3)4)14(10-21)16(17,18)19/h12-14H,5-11H2,1-4H3,(H,20,23)/t14-/m1/s1
InChIKeyIMEYTORSFBBEEW-CQSZACIVSA-N
MW353.43 g/mol
LogP1.87
Rot. Bonds8

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

N-propan-2-yl-2-[(3R)-4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide (PubChem CID 170372182) has the molecular formula C16H30F3N3O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-propan-2-yl-2-[(3R)-4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[(3R)-4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide
PubChem CID170372182
Molecular FormulaC16H30F3N3O2
Molecular Weight353.43 g/mol
Exact Mass353.23
IUPAC NameN-propan-2-yl-2-[(3R)-4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCN(CCCOC(C)C)[C@@H](C(F)(F)F)C1
InChIInChI=1S/C16H30F3N3O2/c1-12(2)20-15(23)11-21-7-8-22(6-5-9-24-13(3)4)14(10-21)16(17,18)19/h12-14H,5-11H2,1-4H3,(H,20,23)/t14-/m1/s1
InChIKeyIMEYTORSFBBEEW-CQSZACIVSA-N
XLogP1.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.87
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-[(3R)-4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[(3R)-4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide (CID 170372182) is N-propan-2-yl-2-[(3R)-4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[(3R)-4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[(3R)-4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide is CC(C)NC(=O)CN1CCN(CCCOC(C)C)[C@@H](C(F)(F)F)C1.
What is the InChIKey of N-propan-2-yl-2-[(3R)-4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide?
The InChIKey is IMEYTORSFBBEEW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H30F3N3O2/c1-12(2)20-15(23)11-21-7-8-22(6-5-9-24-13(3)4)14(10-21)16(17,18)19/h12-14H,5-11H2,1-4H3,(H,20,23)/t14-/m1/s1.
What are the key properties of N-propan-2-yl-2-[(3R)-4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide?
N-propan-2-yl-2-[(3R)-4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide has a molecular weight of 353.43 g/mol, XLogP of 1.87, 8 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-[(3R)-4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 170372182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).