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

C17H32F3N3O2 — CID 175628197

IUPAC2-[(2R)-4-(3-butan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCCC(C)OCCCN1CCN(CC(=O)NC(C)C)[C@@H](C(F)(F)F)C1
InChIInChI=1S/C17H32F3N3O2/c1-5-14(4)25-10-6-7-22-8-9-23(12-16(24)21-13(2)3)15(11-22)17(18,19)20/h13-15H,5-12H2,1-4H3,(H,21,24)/t14?,15-/m1/s1
InChIKeyJWRMCMVUTDMMNN-YSSOQSIOSA-N
MW367.46 g/mol
LogP2.26
Rot. Bonds9

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

2-[(2R)-4-(3-butan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 175628197) has the molecular formula C17H32F3N3O2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-[(2R)-4-(3-butan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2R)-4-(3-butan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID175628197
Molecular FormulaC17H32F3N3O2
Molecular Weight367.46 g/mol
Exact Mass367.24
IUPAC Name2-[(2R)-4-(3-butan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCCC(C)OCCCN1CCN(CC(=O)NC(C)C)[C@@H](C(F)(F)F)C1
InChIInChI=1S/C17H32F3N3O2/c1-5-14(4)25-10-6-7-22-8-9-23(12-16(24)21-13(2)3)15(11-22)17(18,19)20/h13-15H,5-12H2,1-4H3,(H,21,24)/t14?,15-/m1/s1
InChIKeyJWRMCMVUTDMMNN-YSSOQSIOSA-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 2-[(2R)-4-(3-butan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2R)-4-(3-butan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide (CID 175628197) is 2-[(2R)-4-(3-butan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2R)-4-(3-butan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2R)-4-(3-butan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide is CCC(C)OCCCN1CCN(CC(=O)NC(C)C)[C@@H](C(F)(F)F)C1.
What is the InChIKey of 2-[(2R)-4-(3-butan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is JWRMCMVUTDMMNN-YSSOQSIOSA-N. The full InChI is InChI=1S/C17H32F3N3O2/c1-5-14(4)25-10-6-7-22-8-9-23(12-16(24)21-13(2)3)15(11-22)17(18,19)20/h13-15H,5-12H2,1-4H3,(H,21,24)/t14?,15-/m1/s1.
What are the key properties of 2-[(2R)-4-(3-butan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide?
2-[(2R)-4-(3-butan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide 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 2-[(2R)-4-(3-butan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 175628197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).