3-(2-oxopyrrolidin-1-yl)-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]propanamide

C26H31F3N4O2 — CID 166062263

IUPAC3-(2-oxopyrrolidin-1-yl)-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]propanamide
SMILESO=C(CCN1CCCC1=O)NCc1ccc(Nc2ccc(N3CCC(C(F)(F)F)CC3)cc2)cc1
InChIInChI=1S/C26H31F3N4O2/c27-26(28,29)20-11-15-32(16-12-20)23-9-7-22(8-10-23)31-21-5-3-19(4-6-21)18-30-24(34)13-17-33-14-1-2-25(33)35/h3-10,20,31H,1-2,11-18H2,(H,30,34)
InChIKeyZTYBLTICBMCABB-UHFFFAOYSA-N
MW488.55 g/mol
LogP4.84
Rot. Bonds8

About 3-(2-oxopyrrolidin-1-yl)-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]propanamide

3-(2-oxopyrrolidin-1-yl)-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]propanamide (PubChem CID 166062263) has the molecular formula C26H31F3N4O2 and a molecular weight of 488.55 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]propanamide
PubChem CID166062263
Molecular FormulaC26H31F3N4O2
Molecular Weight488.55 g/mol
Exact Mass488.24
IUPAC Name3-(2-oxopyrrolidin-1-yl)-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]propanamide
SMILESO=C(CCN1CCCC1=O)NCc1ccc(Nc2ccc(N3CCC(C(F)(F)F)CC3)cc2)cc1
InChIInChI=1S/C26H31F3N4O2/c27-26(28,29)20-11-15-32(16-12-20)23-9-7-22(8-10-23)31-21-5-3-19(4-6-21)18-30-24(34)13-17-33-14-1-2-25(33)35/h3-10,20,31H,1-2,11-18H2,(H,30,34)
InChIKeyZTYBLTICBMCABB-UHFFFAOYSA-N
XLogP4.84
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]butanamide
CID 166062587
N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 168752889
3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 51095858
N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 166061952
2-oxo-N-[[3-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 168752895
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 46461564
1-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 166062233
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18119409
1-methyl-6-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-3,4-dihydroquinolin-2-one
CID 167300242
3-(azocan-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 91797431
N-[[4-[[5-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 166062559
N-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide
CID 168753006

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]propanamide?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]propanamide (CID 166062263) is 3-(2-oxopyrrolidin-1-yl)-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]propanamide?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]propanamide is O=C(CCN1CCCC1=O)NCc1ccc(Nc2ccc(N3CCC(C(F)(F)F)CC3)cc2)cc1.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]propanamide?
The InChIKey is ZTYBLTICBMCABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N4O2/c27-26(28,29)20-11-15-32(16-12-20)23-9-7-22(8-10-23)31-21-5-3-19(4-6-21)18-30-24(34)13-17-33-14-1-2-25(33)35/h3-10,20,31H,1-2,11-18H2,(H,30,34).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]propanamide?
3-(2-oxopyrrolidin-1-yl)-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]propanamide has a molecular weight of 488.55 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]propanamide is sourced from PubChem (CID 166062263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).