N-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C12H20F3N3O — CID 115575884

IUPACN-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O/c13-12(14,15)9-17-5-7-18(8-6-17)11(19)16-10-3-1-2-4-10/h10H,1-9H2,(H,16,19)
InChIKeyFVHRISBWNKTCAH-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.82
Rot. Bonds2

About N-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

N-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 115575884) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is N-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID115575884
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC NameN-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O/c13-12(14,15)9-17-5-7-18(8-6-17)11(19)16-10-3-1-2-4-10/h10H,1-9H2,(H,16,19)
InChIKeyFVHRISBWNKTCAH-UHFFFAOYSA-N
XLogP1.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 115575884) is N-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is O=C(NC1CCCC1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is FVHRISBWNKTCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c13-12(14,15)9-17-5-7-18(8-6-17)11(19)16-10-3-1-2-4-10/h10H,1-9H2,(H,16,19).
What are the key properties of N-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
N-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 115575884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).