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

C16H27F3N4O2 — CID 120813791

IUPAC2-acetamido-2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESCC(=O)NC(C(=O)NCC(N1CCNCC1)C(F)(F)F)C1CCCC1
InChIInChI=1S/C16H27F3N4O2/c1-11(24)22-14(12-4-2-3-5-12)15(25)21-10-13(16(17,18)19)23-8-6-20-7-9-23/h12-14,20H,2-10H2,1H3,(H,21,25)(H,22,24)
InChIKeyCFCVDWDWXJRNBF-UHFFFAOYSA-N
MW364.41 g/mol
LogP0.63
Rot. Bonds6

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

2-acetamido-2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (PubChem CID 120813791) has the molecular formula C16H27F3N4O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-acetamido-2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-acetamido-2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
PubChem CID120813791
Molecular FormulaC16H27F3N4O2
Molecular Weight364.41 g/mol
Exact Mass364.21
IUPAC Name2-acetamido-2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESCC(=O)NC(C(=O)NCC(N1CCNCC1)C(F)(F)F)C1CCCC1
InChIInChI=1S/C16H27F3N4O2/c1-11(24)22-14(12-4-2-3-5-12)15(25)21-10-13(16(17,18)19)23-8-6-20-7-9-23/h12-14,20H,2-10H2,1H3,(H,21,25)(H,22,24)
InChIKeyCFCVDWDWXJRNBF-UHFFFAOYSA-N
XLogP0.63
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-2-cyclopentyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391186
2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813092
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
2,2-dimethyl-N-[1-oxo-1-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]propan-2-yl]propanamide
CID 120813369
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide
CID 120812289
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-2-carboxamide
CID 120811383
3-methylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120813821
2-acetamido-2-cyclopentyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119386391
2-(4-methylcyclohexyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812952
1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 120813021
1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
CID 120813621

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-acetamido-2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (CID 120813791) is 2-acetamido-2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-acetamido-2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-acetamido-2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is CC(=O)NC(C(=O)NCC(N1CCNCC1)C(F)(F)F)C1CCCC1.
What is the InChIKey of 2-acetamido-2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The InChIKey is CFCVDWDWXJRNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N4O2/c1-11(24)22-14(12-4-2-3-5-12)15(25)21-10-13(16(17,18)19)23-8-6-20-7-9-23/h12-14,20H,2-10H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 2-acetamido-2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
2-acetamido-2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide has a molecular weight of 364.41 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 120813791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).