1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide

C25H26F3N3O3 — CID 55757120

IUPAC1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)C2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C25H26F3N3O3/c26-25(27,28)20-6-4-5-17(13-20)15-31-16-19(14-22(31)32)24(34)30-11-9-18(10-12-30)23(33)29-21-7-2-1-3-8-21/h1-8,13,18-19H,9-12,14-16H2,(H,29,33)
InChIKeyLVXWWDNOMVOTED-UHFFFAOYSA-N
MW473.50 g/mol
LogP3.93
Rot. Bonds5

About 1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide

1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 55757120) has the molecular formula C25H26F3N3O3 and a molecular weight of 473.50 g/mol. Its IUPAC name is 1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
PubChem CID55757120
Molecular FormulaC25H26F3N3O3
Molecular Weight473.50 g/mol
Exact Mass473.19
IUPAC Name1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)C2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C25H26F3N3O3/c26-25(27,28)20-6-4-5-17(13-20)15-31-16-19(14-22(31)32)24(34)30-11-9-18(10-12-30)23(33)29-21-7-2-1-3-8-21/h1-8,13,18-19H,9-12,14-16H2,(H,29,33)
InChIKeyLVXWWDNOMVOTED-UHFFFAOYSA-N
XLogP3.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 55891693
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 119410591
N-(3-ethynylphenyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46485210
(5R)-5-(azepane-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
CID 42593464
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46491839
1-[[3-(trifluoromethyl)phenyl]methyl]-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 47039174
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 17118877
N-[3-(difluoromethoxy)phenyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55743073
N-(2-iodophenyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55738631
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 120655849
5-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55756656
N-[4-(2-methoxyethoxy)phenyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55763241

Frequently Asked Questions

What is the IUPAC name of 1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide (CID 55757120) is 1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)C2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1.
What is the InChIKey of 1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is LVXWWDNOMVOTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O3/c26-25(27,28)20-6-4-5-17(13-20)15-31-16-19(14-22(31)32)24(34)30-11-9-18(10-12-30)23(33)29-21-7-2-1-3-8-21/h1-8,13,18-19H,9-12,14-16H2,(H,29,33).
What are the key properties of 1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide?
1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 473.50 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 55757120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).