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

C12H20F3N3O — CID 115583960

IUPAC4-cyclopentyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C12H20F3N3O/c13-12(14,15)9-16-11(19)18-7-5-17(6-8-18)10-3-1-2-4-10/h10H,1-9H2,(H,16,19)
InChIKeyAUYBZNWOTQPTOP-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.82
Rot. Bonds2

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

4-cyclopentyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 115583960) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-cyclopentyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID115583960
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC Name4-cyclopentyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C12H20F3N3O/c13-12(14,15)9-16-11(19)18-7-5-17(6-8-18)10-3-1-2-4-10/h10H,1-9H2,(H,16,19)
InChIKeyAUYBZNWOTQPTOP-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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Related Compounds

N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 45497352
N-cyclopentyl-4,4-difluoropiperidine-1-carboxamide
CID 121184660
N-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide
CID 126768727
N-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidine-1-carboxamide
CID 2836448
[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]urea
CID 66581265
piperazin-1-yl-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 67629049
piperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 67629541
N-ethyl-4-methyl-3-(trifluoromethyl)piperazine-1-carboxamide
CID 68403574
N-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
CID 69468023
1-Piperidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 84804040
1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]-3-methylurea
CID 89495119
1-[(3R)-1-(3-amino-2-fluoropropyl)piperidin-3-yl]-3-methylurea
CID 89495144

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of 4-cyclopentyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 115583960) is 4-cyclopentyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is O=C(NCC(F)(F)F)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 4-cyclopentyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is AUYBZNWOTQPTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c13-12(14,15)9-16-11(19)18-7-5-17(6-8-18)10-3-1-2-4-10/h10H,1-9H2,(H,16,19).
What are the key properties of 4-cyclopentyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
4-cyclopentyl-N-(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 4-cyclopentyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 115583960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).