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

C14H17F3N2O — CID 62092120

IUPAC3-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one
SMILESO=C1NCCCC1NC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)9-12(10-5-2-1-3-6-10)19-11-7-4-8-18-13(11)20/h1-3,5-6,11-12,19H,4,7-9H2,(H,18,20)
InChIKeyKNKIZOFULHWGJT-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.55
Rot. Bonds4

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

3-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one (PubChem CID 62092120) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 3-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one
PubChem CID62092120
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name3-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one
SMILESO=C1NCCCC1NC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)9-12(10-5-2-1-3-6-10)19-11-7-4-8-18-13(11)20/h1-3,5-6,11-12,19H,4,7-9H2,(H,18,20)
InChIKeyKNKIZOFULHWGJT-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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Related Compounds

N-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine
CID 43760194
5-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one
CID 63661532
(3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one
CID 124829415
1-[(3S)-2-oxoazepan-3-yl]-3-[(2R)-3,3,3-trifluoro-2-phenylpropyl]urea
CID 124618427
N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 63448133
3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one
CID 55033727
3-(3,3,3-trifluoropropylamino)piperidin-2-one
CID 64554624
3-(2-phenylethylamino)piperidin-2-one
CID 62093018
3-(1-naphthalen-2-ylethylamino)piperidin-2-one
CID 62092100
3-(1-naphthalen-1-ylethylamino)piperidin-2-one
CID 62094476
3,3,3-trifluoro-2-[[(2-oxopiperidin-3-yl)amino]methyl]propanoic acid
CID 103248597
(2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide
CID 78986436

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one?
The IUPAC name of 3-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one (CID 62092120) is 3-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one?
The canonical SMILES for 3-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one is O=C1NCCCC1NC(CC(F)(F)F)c1ccccc1.
What is the InChIKey of 3-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one?
The InChIKey is KNKIZOFULHWGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)9-12(10-5-2-1-3-6-10)19-11-7-4-8-18-13(11)20/h1-3,5-6,11-12,19H,4,7-9H2,(H,18,20).
What are the key properties of 3-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one?
3-[(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 3-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one is sourced from PubChem (CID 62092120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).