1-methyl-6-[2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]indole-3-carboxamide

C23H25F3N4O — CID 167299844

IUPAC1-methyl-6-[2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]indole-3-carboxamide
SMILESCc1cc(N2CCC(C(F)(F)F)CC2)ccc1Nc1ccc2c(C(N)=O)cn(C)c2c1
InChIInChI=1S/C23H25F3N4O/c1-14-11-17(30-9-7-15(8-10-30)23(24,25)26)4-6-20(14)28-16-3-5-18-19(22(27)31)13-29(2)21(18)12-16/h3-6,11-13,15,28H,7-10H2,1-2H3,(H2,27,31)
InChIKeyPKYNFSUCSLLNAE-UHFFFAOYSA-N
MW430.47 g/mol
LogP5.11
Rot. Bonds4

About 1-methyl-6-[2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]indole-3-carboxamide

1-methyl-6-[2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]indole-3-carboxamide (PubChem CID 167299844) has the molecular formula C23H25F3N4O and a molecular weight of 430.47 g/mol. Its IUPAC name is 1-methyl-6-[2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-[2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]indole-3-carboxamide
PubChem CID167299844
Molecular FormulaC23H25F3N4O
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC Name1-methyl-6-[2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]indole-3-carboxamide
SMILESCc1cc(N2CCC(C(F)(F)F)CC2)ccc1Nc1ccc2c(C(N)=O)cn(C)c2c1
InChIInChI=1S/C23H25F3N4O/c1-14-11-17(30-9-7-15(8-10-30)23(24,25)26)4-6-20(14)28-16-3-5-18-19(22(27)31)13-29(2)21(18)12-16/h3-6,11-13,15,28H,7-10H2,1-2H3,(H2,27,31)
InChIKeyPKYNFSUCSLLNAE-UHFFFAOYSA-N
XLogP5.11
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.11
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

N-methyl-N-[[2-(methylamino)-5-[2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]formamide
CID 167300208
methyl 6-(4-hydroxypiperidin-1-yl)-1-methylindole-3-carboxylate
CID 66906133
2-methyl-6-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-benzoxazol-3-one
CID 167300444
2-amino-N-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]benzamide
CID 167299959
1-methyl-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]indazol-5-amine
CID 167300671
2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzenecarbothioamide
CID 115368420
tert-butyl 6-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]indazole-1-carboxylate
CID 171615105
N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 166061952
2-[2-(methylamino)-5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenoxy]acetaldehyde
CID 167300445
1-methyl-6-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-3,4-dihydroquinolin-2-one
CID 167300242
4-(3-aminopyrrolidin-1-yl)-2-(trifluoromethyl)benzamide
CID 55029458
1-ethyl-N-[[2-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062458

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]indole-3-carboxamide?
The IUPAC name of 1-methyl-6-[2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]indole-3-carboxamide (CID 167299844) is 1-methyl-6-[2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]indole-3-carboxamide.
What is the SMILES notation for 1-methyl-6-[2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]indole-3-carboxamide?
The canonical SMILES for 1-methyl-6-[2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]indole-3-carboxamide is Cc1cc(N2CCC(C(F)(F)F)CC2)ccc1Nc1ccc2c(C(N)=O)cn(C)c2c1.
What is the InChIKey of 1-methyl-6-[2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]indole-3-carboxamide?
The InChIKey is PKYNFSUCSLLNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O/c1-14-11-17(30-9-7-15(8-10-30)23(24,25)26)4-6-20(14)28-16-3-5-18-19(22(27)31)13-29(2)21(18)12-16/h3-6,11-13,15,28H,7-10H2,1-2H3,(H2,27,31).
What are the key properties of 1-methyl-6-[2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]indole-3-carboxamide?
1-methyl-6-[2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]indole-3-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]indole-3-carboxamide is sourced from PubChem (CID 167299844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).