2,2-dimethyl-N-[1-oxo-1-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]propan-2-yl]propanamide

C15H27F3N4O2 — CID 120813369

IUPAC2,2-dimethyl-N-[1-oxo-1-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]propan-2-yl]propanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C15H27F3N4O2/c1-10(21-13(24)14(2,3)4)12(23)20-9-11(15(16,17)18)22-7-5-19-6-8-22/h10-11,19H,5-9H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyGRPOEELGNZQRNC-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.49
Rot. Bonds5

About 2,2-dimethyl-N-[1-oxo-1-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]propan-2-yl]propanamide

2,2-dimethyl-N-[1-oxo-1-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]propan-2-yl]propanamide (PubChem CID 120813369) has the molecular formula C15H27F3N4O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-oxo-1-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]propan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-oxo-1-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]propan-2-yl]propanamide
PubChem CID120813369
Molecular FormulaC15H27F3N4O2
Molecular Weight352.40 g/mol
Exact Mass352.21
IUPAC Name2,2-dimethyl-N-[1-oxo-1-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]propan-2-yl]propanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C15H27F3N4O2/c1-10(21-13(24)14(2,3)4)12(23)20-9-11(15(16,17)18)22-7-5-19-6-8-22/h10-11,19H,5-9H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyGRPOEELGNZQRNC-UHFFFAOYSA-N
XLogP0.49
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-oxo-1-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]propan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-oxo-1-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]propan-2-yl]propanamide (CID 120813369) is 2,2-dimethyl-N-[1-oxo-1-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]propan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-oxo-1-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]propan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-oxo-1-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]propan-2-yl]propanamide is CC(NC(=O)C(C)(C)C)C(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-[1-oxo-1-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]propan-2-yl]propanamide?
The InChIKey is GRPOEELGNZQRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N4O2/c1-10(21-13(24)14(2,3)4)12(23)20-9-11(15(16,17)18)22-7-5-19-6-8-22/h10-11,19H,5-9H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of 2,2-dimethyl-N-[1-oxo-1-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]propan-2-yl]propanamide?
2,2-dimethyl-N-[1-oxo-1-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]propan-2-yl]propanamide has a molecular weight of 352.40 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-oxo-1-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]propan-2-yl]propanamide is sourced from PubChem (CID 120813369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).