N-cyclopentyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

C15H26F3N3O — CID 84598921

IUPACN-cyclopentyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESCC1(C)CN(CC(F)(F)F)CCN1CC(=O)NC1CCCC1
InChIInChI=1S/C15H26F3N3O/c1-14(2)10-20(11-15(16,17)18)7-8-21(14)9-13(22)19-12-5-3-4-6-12/h12H,3-11H2,1-2H3,(H,19,22)
InChIKeyCQRPUULCRDUNHI-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.00
Rot. Bonds4

About N-cyclopentyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

N-cyclopentyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (PubChem CID 84598921) has the molecular formula C15H26F3N3O and a molecular weight of 321.39 g/mol. Its IUPAC name is N-cyclopentyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
PubChem CID84598921
Molecular FormulaC15H26F3N3O
Molecular Weight321.39 g/mol
Exact Mass321.20
IUPAC NameN-cyclopentyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESCC1(C)CN(CC(F)(F)F)CCN1CC(=O)NC1CCCC1
InChIInChI=1S/C15H26F3N3O/c1-14(2)10-20(11-15(16,17)18)7-8-21(14)9-13(22)19-12-5-3-4-6-12/h12H,3-11H2,1-2H3,(H,19,22)
InChIKeyCQRPUULCRDUNHI-UHFFFAOYSA-N
XLogP2.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (CID 84598921) is N-cyclopentyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is CC1(C)CN(CC(F)(F)F)CCN1CC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The InChIKey is CQRPUULCRDUNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O/c1-14(2)10-20(11-15(16,17)18)7-8-21(14)9-13(22)19-12-5-3-4-6-12/h12H,3-11H2,1-2H3,(H,19,22).
What are the key properties of N-cyclopentyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
N-cyclopentyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide has a molecular weight of 321.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 84598921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).