4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid

C26H29F4N3O5 — CID 167889614

IUPAC4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(CN2CCC(CNC(=O)c3cc4c(F)ccc(OC)c4[nH]3)CC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H28FN3O3.C2HF3O2/c1-30-18-5-3-17(4-6-18)15-28-11-9-16(10-12-28)14-26-24(29)21-13-19-20(25)7-8-22(31-2)23(19)27-21;3-2(4,5)1(6)7/h3-8,13,16,27H,9-12,14-15H2,1-2H3,(H,26,29);(H,6,7)
InChIKeyUZSRHHNATIREMB-UHFFFAOYSA-N
MW539.53 g/mol
LogP4.60
Rot. Bonds7

About 4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid

4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 167889614) has the molecular formula C26H29F4N3O5 and a molecular weight of 539.53 g/mol. Its IUPAC name is 4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID167889614
Molecular FormulaC26H29F4N3O5
Molecular Weight539.53 g/mol
Exact Mass539.20
IUPAC Name4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(CN2CCC(CNC(=O)c3cc4c(F)ccc(OC)c4[nH]3)CC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H28FN3O3.C2HF3O2/c1-30-18-5-3-17(4-6-18)15-28-11-9-16(10-12-28)14-26-24(29)21-13-19-20(25)7-8-22(31-2)23(19)27-21;3-2(4,5)1(6)7/h3-8,13,16,27H,9-12,14-15H2,1-2H3,(H,26,29);(H,6,7)
InChIKeyUZSRHHNATIREMB-UHFFFAOYSA-N
XLogP4.60
TPSA103.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.53
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 167889615
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 52785552
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 154793920
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119865560
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60600387
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-phenylacetamide
CID 60599952
4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120645450
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
3-hydroxy-N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95194185

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 167889614) is 4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid is COc1ccc(CN2CCC(CNC(=O)c3cc4c(F)ccc(OC)c4[nH]3)CC2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UZSRHHNATIREMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3.C2HF3O2/c1-30-18-5-3-17(4-6-18)15-28-11-9-16(10-12-28)14-26-24(29)21-13-19-20(25)7-8-22(31-2)23(19)27-21;3-2(4,5)1(6)7/h3-8,13,16,27H,9-12,14-15H2,1-2H3,(H,26,29);(H,6,7).
What are the key properties of 4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid?
4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 539.53 g/mol, XLogP of 4.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167889614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).