5-oxo-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrrolidine-3-carboxamide

C18H20F3N3O3 — CID 126855916

IUPAC5-oxo-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1
InChIInChI=1S/C18H20F3N3O3/c19-18(20,21)14-4-2-1-3-13(14)17(27)23-7-5-12(6-8-23)24-10-11(16(22)26)9-15(24)25/h1-4,11-12H,5-10H2,(H2,22,26)
InChIKeyOBKQYYHVVLBLSN-UHFFFAOYSA-N
MW383.37 g/mol
LogP1.64
Rot. Bonds3

About 5-oxo-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrrolidine-3-carboxamide

5-oxo-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 126855916) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is 5-oxo-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID126855916
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name5-oxo-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1
InChIInChI=1S/C18H20F3N3O3/c19-18(20,21)14-4-2-1-3-13(14)17(27)23-7-5-12(6-8-23)24-10-11(16(22)26)9-15(24)25/h1-4,11-12H,5-10H2,(H2,22,26)
InChIKeyOBKQYYHVVLBLSN-UHFFFAOYSA-N
XLogP1.64
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
(4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 86276608
[(3R)-3-aminopyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119410283
1-[2-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63006620
1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 24701821
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
(3-pyrazol-1-ylpyrrolidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 126946676
(4-methylazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 84581077
[4-(1-chloroethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 106838854
(3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 51518671
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 172646296
(4-cyclobutyl-1,4-diazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 131702225

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrrolidine-3-carboxamide (CID 126855916) is 5-oxo-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1.
What is the InChIKey of 5-oxo-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is OBKQYYHVVLBLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c19-18(20,21)14-4-2-1-3-13(14)17(27)23-7-5-12(6-8-23)24-10-11(16(22)26)9-15(24)25/h1-4,11-12H,5-10H2,(H2,22,26).
What are the key properties of 5-oxo-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
5-oxo-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 126855916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).