3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide

C14H26F3N3O — CID 120813243

IUPAC3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide
SMILESCCC(C)(C)CC(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C14H26F3N3O/c1-4-13(2,3)9-12(21)19-10-11(14(15,16)17)20-7-5-18-6-8-20/h11,18H,4-10H2,1-3H3,(H,19,21)
InChIKeyGVRVRZADGZIRTQ-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.76
Rot. Bonds6

About 3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide

3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide (PubChem CID 120813243) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide
PubChem CID120813243
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC Name3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide
SMILESCCC(C)(C)CC(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C14H26F3N3O/c1-4-13(2,3)9-12(21)19-10-11(14(15,16)17)20-7-5-18-6-8-20/h11,18H,4-10H2,1-3H3,(H,19,21)
InChIKeyGVRVRZADGZIRTQ-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide?
The IUPAC name of 3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide (CID 120813243) is 3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide.
What is the SMILES notation for 3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide?
The canonical SMILES for 3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide is CCC(C)(C)CC(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide?
The InChIKey is GVRVRZADGZIRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-4-13(2,3)9-12(21)19-10-11(14(15,16)17)20-7-5-18-6-8-20/h11,18H,4-10H2,1-3H3,(H,19,21).
What are the key properties of 3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide?
3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide has a molecular weight of 309.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide is sourced from PubChem (CID 120813243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).