2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride

C14H25ClF3N3O — CID 120813092

IUPAC2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(CC1CCCC1)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C14H24F3N3O.ClH/c15-14(16,17)12(20-7-5-18-6-8-20)10-19-13(21)9-11-3-1-2-4-11;/h11-12,18H,1-10H2,(H,19,21);1H
InChIKeyGNHUDPVQZICMIJ-UHFFFAOYSA-N
MW343.82 g/mol
LogP1.94
Rot. Bonds5

About 2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride

2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride (PubChem CID 120813092) has the molecular formula C14H25ClF3N3O and a molecular weight of 343.82 g/mol. Its IUPAC name is 2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
PubChem CID120813092
Molecular FormulaC14H25ClF3N3O
Molecular Weight343.82 g/mol
Exact Mass343.16
IUPAC Name2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(CC1CCCC1)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C14H24F3N3O.ClH/c15-14(16,17)12(20-7-5-18-6-8-20)10-19-13(21)9-11-3-1-2-4-11;/h11-12,18H,1-10H2,(H,19,21);1H
InChIKeyGNHUDPVQZICMIJ-UHFFFAOYSA-N
XLogP1.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylcyclohexyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812952
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutanecarboxamide;hydrochloride
CID 120813116
2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
CID 120812498
3-methylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120813821
2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812954
1-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride
CID 120876969
2-propylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810714
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-2-carboxamide
CID 120811383
2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120811988
2-[methyl(propan-2-yl)amino]-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 120812706
2-acetamido-2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813791
2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 113252022

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride (CID 120813092) is 2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride is Cl.O=C(CC1CCCC1)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is GNHUDPVQZICMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O.ClH/c15-14(16,17)12(20-7-5-18-6-8-20)10-19-13(21)9-11-3-1-2-4-11;/h11-12,18H,1-10H2,(H,19,21);1H.
What are the key properties of 2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 343.82 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 120813092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).