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

C18H22F3N3O3 — CID 120948451

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1CNCC1O)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H22F3N3O3/c19-18(20,21)14-3-1-2-11(4-14)9-24-10-12(5-16(24)26)17(27)23-7-13-6-22-8-15(13)25/h1-4,12-13,15,22,25H,5-10H2,(H,23,27)
InChIKeyAEHDLISEKUDGLE-UHFFFAOYSA-N
MW385.39 g/mol
LogP0.75
Rot. Bonds5

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

N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 120948451) has the molecular formula C18H22F3N3O3 and a molecular weight of 385.39 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID120948451
Molecular FormulaC18H22F3N3O3
Molecular Weight385.39 g/mol
Exact Mass385.16
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1CNCC1O)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H22F3N3O3/c19-18(20,21)14-3-1-2-11(4-14)9-24-10-12(5-16(24)26)17(27)23-7-13-6-22-8-15(13)25/h1-4,12-13,15,22,25H,5-10H2,(H,23,27)
InChIKeyAEHDLISEKUDGLE-UHFFFAOYSA-N
XLogP0.75
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119627320
2,2-dimethyl-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119249849
N-[(4-methylphenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46489423
N-[(3-methylphenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55738809
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
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 120945140
N-(furan-3-ylmethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55839182
N-[[3-(methoxymethyl)phenyl]methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 47041524
5-oxo-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55855211
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55758677
N-[[2-(methoxymethyl)phenyl]methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 47040518
N-[2-(N-methylanilino)ethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55740906

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 120948451) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide is O=C(NCC1CNCC1O)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is AEHDLISEKUDGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O3/c19-18(20,21)14-3-1-2-11(4-14)9-24-10-12(5-16(24)26)17(27)23-7-13-6-22-8-15(13)25/h1-4,12-13,15,22,25H,5-10H2,(H,23,27).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 120948451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).