piperidin-4-yl 4-(4,4,4-trifluorobutanoylamino)benzoate

C16H19F3N2O3 — CID 86813781

IUPACpiperidin-4-yl 4-(4,4,4-trifluorobutanoylamino)benzoate
SMILESO=C(CCC(F)(F)F)Nc1ccc(C(=O)OC2CCNCC2)cc1
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)8-5-14(22)21-12-3-1-11(2-4-12)15(23)24-13-6-9-20-10-7-13/h1-4,13,20H,5-10H2,(H,21,22)
InChIKeyVLZITDONYVJWEQ-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.88
Rot. Bonds5

About piperidin-4-yl 4-(4,4,4-trifluorobutanoylamino)benzoate

piperidin-4-yl 4-(4,4,4-trifluorobutanoylamino)benzoate (PubChem CID 86813781) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is piperidin-4-yl 4-(4,4,4-trifluorobutanoylamino)benzoate.

Molecular Properties

Compound Namepiperidin-4-yl 4-(4,4,4-trifluorobutanoylamino)benzoate
PubChem CID86813781
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Namepiperidin-4-yl 4-(4,4,4-trifluorobutanoylamino)benzoate
SMILESO=C(CCC(F)(F)F)Nc1ccc(C(=O)OC2CCNCC2)cc1
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)8-5-14(22)21-12-3-1-11(2-4-12)15(23)24-13-6-9-20-10-7-13/h1-4,13,20H,5-10H2,(H,21,22)
InChIKeyVLZITDONYVJWEQ-UHFFFAOYSA-N
XLogP2.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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piperidin-4-yl 4-[(5-methylthiophene-2-carbonyl)amino]benzoate;hydrochloride
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piperidin-4-yl pyridine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 4-(4,4,4-trifluorobutanoylamino)benzoate?
The IUPAC name of piperidin-4-yl 4-(4,4,4-trifluorobutanoylamino)benzoate (CID 86813781) is piperidin-4-yl 4-(4,4,4-trifluorobutanoylamino)benzoate.
What is the SMILES notation for piperidin-4-yl 4-(4,4,4-trifluorobutanoylamino)benzoate?
The canonical SMILES for piperidin-4-yl 4-(4,4,4-trifluorobutanoylamino)benzoate is O=C(CCC(F)(F)F)Nc1ccc(C(=O)OC2CCNCC2)cc1.
What is the InChIKey of piperidin-4-yl 4-(4,4,4-trifluorobutanoylamino)benzoate?
The InChIKey is VLZITDONYVJWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c17-16(18,19)8-5-14(22)21-12-3-1-11(2-4-12)15(23)24-13-6-9-20-10-7-13/h1-4,13,20H,5-10H2,(H,21,22).
What are the key properties of piperidin-4-yl 4-(4,4,4-trifluorobutanoylamino)benzoate?
piperidin-4-yl 4-(4,4,4-trifluorobutanoylamino)benzoate has a molecular weight of 344.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 4-(4,4,4-trifluorobutanoylamino)benzoate is sourced from PubChem (CID 86813781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).