2-oxo-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-4-carboxamide

C22H22F3N3O2 — CID 141308973

IUPAC2-oxo-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-4-carboxamide
SMILESO=C1Cc2c(cccc2C(=O)NCc2ccc(C(F)(F)F)cc2N2CCCCC2)N1
InChIInChI=1S/C22H22F3N3O2/c23-22(24,25)15-8-7-14(19(11-15)28-9-2-1-3-10-28)13-26-21(30)16-5-4-6-18-17(16)12-20(29)27-18/h4-8,11H,1-3,9-10,12-13H2,(H,26,30)(H,27,29)
InChIKeySJJRKJVYNIIFQG-UHFFFAOYSA-N
MW417.43 g/mol
LogP4.12
Rot. Bonds4

About 2-oxo-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-4-carboxamide

2-oxo-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-4-carboxamide (PubChem CID 141308973) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is 2-oxo-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-4-carboxamide
PubChem CID141308973
Molecular FormulaC22H22F3N3O2
Molecular Weight417.43 g/mol
Exact Mass417.17
IUPAC Name2-oxo-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-4-carboxamide
SMILESO=C1Cc2c(cccc2C(=O)NCc2ccc(C(F)(F)F)cc2N2CCCCC2)N1
InChIInChI=1S/C22H22F3N3O2/c23-22(24,25)15-8-7-14(19(11-15)28-9-2-1-3-10-28)13-26-21(30)16-5-4-6-18-17(16)12-20(29)27-18/h4-8,11H,1-3,9-10,12-13H2,(H,26,30)(H,27,29)
InChIKeySJJRKJVYNIIFQG-UHFFFAOYSA-N
XLogP4.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-oxo-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-4-carboxamide with MolForge

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Related Compounds

1-(3-oxo-4H-1,4-benzoxazin-5-yl)-3-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea
CID 53476468
N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 169489159
2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 169489195
2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067749
methanesulfonic acid;4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylic acid
CID 166756567
(2R)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 25063639
1-[[2-(dimethylamino)-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea
CID 53476470
4-[[(3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]methyl]benzoic acid
CID 119353511
2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 4028135
2-piperidin-1-yl-N-(pyridin-3-ylmethyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 42755646
7-fluoro-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 24606225
2-pyrrolidin-1-yl-4-(trifluoromethyl)benzenethiol
CID 144965090

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-4-carboxamide?
The IUPAC name of 2-oxo-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-4-carboxamide (CID 141308973) is 2-oxo-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-4-carboxamide?
The canonical SMILES for 2-oxo-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-4-carboxamide is O=C1Cc2c(cccc2C(=O)NCc2ccc(C(F)(F)F)cc2N2CCCCC2)N1.
What is the InChIKey of 2-oxo-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-4-carboxamide?
The InChIKey is SJJRKJVYNIIFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c23-22(24,25)15-8-7-14(19(11-15)28-9-2-1-3-10-28)13-26-21(30)16-5-4-6-18-17(16)12-20(29)27-18/h4-8,11H,1-3,9-10,12-13H2,(H,26,30)(H,27,29).
What are the key properties of 2-oxo-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-4-carboxamide?
2-oxo-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-4-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 141308973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).