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

C24H28FN3O3 — CID 167889615

IUPAC4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(CN2CCC(CNC(=O)c3cc4c(F)ccc(OC)c4[nH]3)CC2)cc1
InChIInChI=1S/C24H28FN3O3/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/h3-8,13,16,27H,9-12,14-15H2,1-2H3,(H,26,29)
InChIKeyVXKDNOIPMXCJQQ-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.97
Rot. Bonds7

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

4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 167889615) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
PubChem CID167889615
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(CN2CCC(CNC(=O)c3cc4c(F)ccc(OC)c4[nH]3)CC2)cc1
InChIInChI=1S/C24H28FN3O3/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/h3-8,13,16,27H,9-12,14-15H2,1-2H3,(H,26,29)
InChIKeyVXKDNOIPMXCJQQ-UHFFFAOYSA-N
XLogP3.97
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 167889614
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
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
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
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 52785552
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide
CID 60599829

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?
The IUPAC name of 4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide (CID 167889615) is 4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide is COc1ccc(CN2CCC(CNC(=O)c3cc4c(F)ccc(OC)c4[nH]3)CC2)cc1.
What is the InChIKey of 4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is VXKDNOIPMXCJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/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/h3-8,13,16,27H,9-12,14-15H2,1-2H3,(H,26,29).
What are the key properties of 4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide?
4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 167889615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).