3-[3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one

C14H17ClF3N3O — CID 162767469

IUPAC3-[3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one
SMILESO=C1NCCCC1CCCNc1cc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C14H17ClF3N3O/c15-12-7-11(10(8-21-12)14(16,17)18)19-5-1-3-9-4-2-6-20-13(9)22/h7-9H,1-6H2,(H,19,21)(H,20,22)
InChIKeyUUJFGHOWKZSGAE-UHFFFAOYSA-N
MW335.76 g/mol
LogP3.47
Rot. Bonds5

About 3-[3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one

3-[3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one (PubChem CID 162767469) has the molecular formula C14H17ClF3N3O and a molecular weight of 335.76 g/mol. Its IUPAC name is 3-[3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one.

Molecular Properties

Compound Name3-[3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one
PubChem CID162767469
Molecular FormulaC14H17ClF3N3O
Molecular Weight335.76 g/mol
Exact Mass335.10
IUPAC Name3-[3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one
SMILESO=C1NCCCC1CCCNc1cc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C14H17ClF3N3O/c15-12-7-11(10(8-21-12)14(16,17)18)19-5-1-3-9-4-2-6-20-13(9)22/h7-9H,1-6H2,(H,19,21)(H,20,22)
InChIKeyUUJFGHOWKZSGAE-UHFFFAOYSA-N
XLogP3.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-4-pyridinylacetamide
CID 974101
1-(5-Chloro-3,4'-bipyridin-4-yl)piperidine-4-carboxamide
CID 45275779
3-(2-chloro-6-fluorophenyl)-N-4-pyridinylacrylamide
CID 898452
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2-pyridinyl)ethyl]acetamide
CID 3294185
2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2-pyridinyl)acetamide
CID 3802706
1-(4-chlorobenzyl)-6-oxo-N-(2-pyridinylmethyl)-3-piperidinecarboxamide
CID 24790137
1-(4-chlorobenzyl)-6-keto-N-[2-(3-pyridyl)ethyl]nipecotamide
CID 24790634
1-[(4-chlorophenyl)methyl]-6-oxo-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide
CID 24792128
3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[3-(dimethylamino)propyl]propanamide
CID 2765369
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-pyridinylmethyl)acetamide
CID 1481319
2-(4-chlorophenyl)-3-methyl-N-pyridin-4-ylbutanamide
CID 24685247
2-(4-chlorophenyl)-N-pyridin-4-ylacetamide
CID 784757

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one?
The IUPAC name of 3-[3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one (CID 162767469) is 3-[3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one.
What is the SMILES notation for 3-[3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one?
The canonical SMILES for 3-[3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one is O=C1NCCCC1CCCNc1cc(Cl)ncc1C(F)(F)F.
What is the InChIKey of 3-[3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one?
The InChIKey is UUJFGHOWKZSGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N3O/c15-12-7-11(10(8-21-12)14(16,17)18)19-5-1-3-9-4-2-6-20-13(9)22/h7-9H,1-6H2,(H,19,21)(H,20,22).
What are the key properties of 3-[3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one?
3-[3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one has a molecular weight of 335.76 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]propyl]piperidin-2-one is sourced from PubChem (CID 162767469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).