5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide

C18H20F3N3O3 — CID 176993985

IUPAC5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCC(=O)N3CCC(OC(F)(F)F)CC3)cc2c1
InChIInChI=1S/C18H20F3N3O3/c1-11-2-3-14-12(8-11)9-15(23-14)17(26)22-10-16(25)24-6-4-13(5-7-24)27-18(19,20)21/h2-3,8-9,13,23H,4-7,10H2,1H3,(H,22,26)
InChIKeyLDFNTDDINWDNBM-UHFFFAOYSA-N
MW383.37 g/mol
LogP2.73
Rot. Bonds4

About 5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide

5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide (PubChem CID 176993985) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is 5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide
PubChem CID176993985
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCC(=O)N3CCC(OC(F)(F)F)CC3)cc2c1
InChIInChI=1S/C18H20F3N3O3/c1-11-2-3-14-12(8-11)9-15(23-14)17(26)22-10-16(25)24-6-4-13(5-7-24)27-18(19,20)21/h2-3,8-9,13,23H,4-7,10H2,1H3,(H,22,26)
InChIKeyLDFNTDDINWDNBM-UHFFFAOYSA-N
XLogP2.73
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(2S)-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide
CID 176993914
N-[2-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 176993901
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 176993906
N-[1-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methyl-1H-indole-2-carboxamide
CID 176993910
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide
CID 162364764
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
CID 46474467
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4011828
N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide
CID 113207116
5-methyl-N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 47375273
N-cyclohexyl-5-methyl-1H-indole-2-carboxamide
CID 3886919
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide (CID 176993985) is 5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NCC(=O)N3CCC(OC(F)(F)F)CC3)cc2c1.
What is the InChIKey of 5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide?
The InChIKey is LDFNTDDINWDNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-11-2-3-14-12(8-11)9-15(23-14)17(26)22-10-16(25)24-6-4-13(5-7-24)27-18(19,20)21/h2-3,8-9,13,23H,4-7,10H2,1H3,(H,22,26).
What are the key properties of 5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide?
5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 176993985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).