5-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one

C14H17F3N2O — CID 63661532

IUPAC5-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one
SMILESO=C1CCC(NC(CC(F)(F)F)c2ccccc2)CN1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)8-12(10-4-2-1-3-5-10)19-11-6-7-13(20)18-9-11/h1-5,11-12,19H,6-9H2,(H,18,20)
InChIKeyBBWCVMWWQRFKEM-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.55
Rot. Bonds4

About 5-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one

5-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one (PubChem CID 63661532) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 5-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one.

Molecular Properties

Compound Name5-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one
PubChem CID63661532
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name5-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one
SMILESO=C1CCC(NC(CC(F)(F)F)c2ccccc2)CN1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)8-12(10-4-2-1-3-5-10)19-11-6-7-13(20)18-9-11/h1-5,11-12,19H,6-9H2,(H,18,20)
InChIKeyBBWCVMWWQRFKEM-UHFFFAOYSA-N
XLogP2.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one?
The IUPAC name of 5-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one (CID 63661532) is 5-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one.
What is the SMILES notation for 5-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one?
The canonical SMILES for 5-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one is O=C1CCC(NC(CC(F)(F)F)c2ccccc2)CN1.
What is the InChIKey of 5-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one?
The InChIKey is BBWCVMWWQRFKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)8-12(10-4-2-1-3-5-10)19-11-6-7-13(20)18-9-11/h1-5,11-12,19H,6-9H2,(H,18,20).
What are the key properties of 5-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one?
5-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one has a molecular weight of 286.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one is sourced from PubChem (CID 63661532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).