2-oxo-N-(4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)piperidine-3-carboxamide

C17H20F3N3O2 — CID 43073026

IUPAC2-oxo-N-(4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C17H20F3N3O2/c18-17(19,20)14-8-7-13(16(25)22-14)15(24)21-11-3-5-12(6-4-11)23-9-1-2-10-23/h3-6,13-14H,1-2,7-10H2,(H,21,24)(H,22,25)
InChIKeyINTRYJSAIDYZMX-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.68
Rot. Bonds3

About 2-oxo-N-(4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)piperidine-3-carboxamide

2-oxo-N-(4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 43073026) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-oxo-N-(4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID43073026
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name2-oxo-N-(4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C17H20F3N3O2/c18-17(19,20)14-8-7-13(16(25)22-14)15(24)21-11-3-5-12(6-4-11)23-9-1-2-10-23/h3-6,13-14H,1-2,7-10H2,(H,21,24)(H,22,25)
InChIKeyINTRYJSAIDYZMX-UHFFFAOYSA-N
XLogP2.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 98423363
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
N-(4-pyrrolidin-1-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343971
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
(2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide
CID 93029701
2-[(4-pyrrolidin-1-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 82036772
(2R)-N-[4-(azepan-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103813730
(4aS,7aR)-2,4-dioxo-N-(4-piperidin-1-ylphenyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[b]pyridine-3-carboxamide
CID 91408342
2,2,3,3-tetrafluoro-N-(4-piperidin-1-ylphenyl)propanamide
CID 103731896
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
N-(4-pyrrolidin-1-ylphenyl)azepane-2-carboxamide
CID 64562834
2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17494934

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of 2-oxo-N-(4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)piperidine-3-carboxamide (CID 43073026) is 2-oxo-N-(4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)piperidine-3-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)C1CCC(C(F)(F)F)NC1=O.
What is the InChIKey of 2-oxo-N-(4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is INTRYJSAIDYZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c18-17(19,20)14-8-7-13(16(25)22-14)15(24)21-11-3-5-12(6-4-11)23-9-1-2-10-23/h3-6,13-14H,1-2,7-10H2,(H,21,24)(H,22,25).
What are the key properties of 2-oxo-N-(4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)piperidine-3-carboxamide?
2-oxo-N-(4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 43073026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).