ethyl 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylate

C15H22F3NO3 — CID 90018459

IUPACethyl 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(C(F)(F)F)CCCC2)CC1
InChIInChI=1S/C15H22F3NO3/c1-2-22-12(20)11-5-9-19(10-6-11)13(21)14(15(16,17)18)7-3-4-8-14/h11H,2-10H2,1H3
InChIKeySWYHZFDAYKONPW-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.91
Rot. Bonds3

About ethyl 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylate

ethyl 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylate (PubChem CID 90018459) has the molecular formula C15H22F3NO3 and a molecular weight of 321.34 g/mol. Its IUPAC name is ethyl 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylate
PubChem CID90018459
Molecular FormulaC15H22F3NO3
Molecular Weight321.34 g/mol
Exact Mass321.16
IUPAC Nameethyl 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(C(F)(F)F)CCCC2)CC1
InChIInChI=1S/C15H22F3NO3/c1-2-22-12(20)11-5-9-19(10-6-11)13(21)14(15(16,17)18)7-3-4-8-14/h11H,2-10H2,1H3
InChIKeySWYHZFDAYKONPW-UHFFFAOYSA-N
XLogP2.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(3-cyclopentylpropanoyl)-4-piperidinecarboxylate
CID 976292
Butan-2-yl 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylate
CID 601868
Methyl 1-cyclopentanecarbonylpiperidine-4-carboxylate
CID 25675465
4-Piperidinecarboxylic acid, 1-(trifluoroacetyl)-, 1-methylpropyl ester, (S)-
CID 22217585
Ethyl 1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylate
CID 43423506
1-(1-Trifluoromethyl-cyclopropanecarbonyl)-piperidine-4-carboxylic acid ethyl ester
CID 66865273
Ethyl 1-(1,2,2-trifluoro-3-methylcyclopropanecarbonyl)piperidine-4-carboxylate
CID 66889290
Ethyl 1-(4,4-difluorocyclohexanecarbonyl)piperidine-4-carboxylate
CID 81929086
Ethyl 1-(1-(trifluoromethyl)cyclobutanecarbonyl)piperidin-4-carboxylate
CID 90017730
Ethyl 1-(1-(trifluoromethyl)cyclohexanecarbonyl)piperidin-4-carboxylate
CID 90017780
Ethyl 1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-carboxylate
CID 90018229
Ethyl 1-(3,3-difluorocyclobutanecarbonyl)piperidine-4-carboxylate
CID 138616914

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylate (CID 90018459) is ethyl 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2(C(F)(F)F)CCCC2)CC1.
What is the InChIKey of ethyl 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylate?
The InChIKey is SWYHZFDAYKONPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO3/c1-2-22-12(20)11-5-9-19(10-6-11)13(21)14(15(16,17)18)7-3-4-8-14/h11H,2-10H2,1H3.
What are the key properties of ethyl 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylate?
ethyl 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylate has a molecular weight of 321.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 90018459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).