N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide

C33H38FN3O3 — CID 58967965

IUPACN-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(F)c3)cn(CCCN3CCC(CCOc4ccccc4)CC3)c12
InChIInChI=1S/C33H38FN3O3/c1-39-31-13-6-12-29-30(33(38)35-23-26-8-5-9-27(34)22-26)24-37(32(29)31)18-7-17-36-19-14-25(15-20-36)16-21-40-28-10-3-2-4-11-28/h2-6,8-13,22,24-25H,7,14-21,23H2,1H3,(H,35,38)
InChIKeyFUYZICNHVSMTPN-UHFFFAOYSA-N
MW543.68 g/mol
LogP6.29
Rot. Bonds12

About N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide

N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide (PubChem CID 58967965) has the molecular formula C33H38FN3O3 and a molecular weight of 543.68 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide
PubChem CID58967965
Molecular FormulaC33H38FN3O3
Molecular Weight543.68 g/mol
Exact Mass543.29
IUPAC NameN-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(F)c3)cn(CCCN3CCC(CCOc4ccccc4)CC3)c12
InChIInChI=1S/C33H38FN3O3/c1-39-31-13-6-12-29-30(33(38)35-23-26-8-5-9-27(34)22-26)24-37(32(29)31)18-7-17-36-19-14-25(15-20-36)16-21-40-28-10-3-2-4-11-28/h2-6,8-13,22,24-25H,7,14-21,23H2,1H3,(H,35,38)
InChIKeyFUYZICNHVSMTPN-UHFFFAOYSA-N
XLogP6.29
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.68
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide with MolForge

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Related Compounds

Unii-1U7V49ntqg
CID 10091392
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FUB-PB-22 compound
CID 91936864
7-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11546775
4-{2-[5-(benzyloxy)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl]ethyl}morpholine
CID 24768502
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2,2,2-trifluoroethoxy)-1H-indol-3-yl]ethane-1,2-dione
CID 506246
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone
CID 11201613
[(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3S)-3,4-dimethylpiperazin-1-yl]methanone
CID 46919792
[1-(Cyclohexylmethyl)-7-methoxy-1H-indol-3-yl][(3R,5S)-3,4,5-trimethyl-1-piperazinyl]methanone
CID 49862666
(1-Butyl-7-methoxyindol-3-yl)-naphthalen-1-ylmethanone
CID 71683085
N-(S)-Fenchyl-1-(2-morpholinoethyl)-7-methoxyindole-3-carboxamide
CID 11743928
7-Methoxy-1-(2-morpholinoethyl)-N-((1S,4R)-1,3,3-trimethylbicyclo(2.2.1)heptan-2-yl)-1H-indole-3-carboxamide
CID 71308243

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide (CID 58967965) is N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide is COc1cccc2c(C(=O)NCc3cccc(F)c3)cn(CCCN3CCC(CCOc4ccccc4)CC3)c12.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide?
The InChIKey is FUYZICNHVSMTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38FN3O3/c1-39-31-13-6-12-29-30(33(38)35-23-26-8-5-9-27(34)22-26)24-37(32(29)31)18-7-17-36-19-14-25(15-20-36)16-21-40-28-10-3-2-4-11-28/h2-6,8-13,22,24-25H,7,14-21,23H2,1H3,(H,35,38).
What are the key properties of N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide?
N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide has a molecular weight of 543.68 g/mol, XLogP of 6.29, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide is sourced from PubChem (CID 58967965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).