1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-3-(3-phenoxyphenyl)propan-1-one

C35H34N2O2 — CID 46122904

IUPAC1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-3-(3-phenoxyphenyl)propan-1-one
SMILESO=C(CC(c1cccc(Oc2ccccc2)c1)c1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C35H34N2O2/c38-35(37-20-18-27(19-21-37)22-26-10-3-1-4-11-26)24-32(33-25-36-34-17-8-7-16-31(33)34)28-12-9-15-30(23-28)39-29-13-5-2-6-14-29/h1-17,23,25,27,32,36H,18-22,24H2
InChIKeyCFODYHUQONHZAD-UHFFFAOYSA-N
MW514.67 g/mol
LogP7.96
Rot. Bonds8

About 1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-3-(3-phenoxyphenyl)propan-1-one

1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-3-(3-phenoxyphenyl)propan-1-one (PubChem CID 46122904) has the molecular formula C35H34N2O2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-3-(3-phenoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-3-(3-phenoxyphenyl)propan-1-one
PubChem CID46122904
Molecular FormulaC35H34N2O2
Molecular Weight514.67 g/mol
Exact Mass514.26
IUPAC Name1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-3-(3-phenoxyphenyl)propan-1-one
SMILESO=C(CC(c1cccc(Oc2ccccc2)c1)c1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C35H34N2O2/c38-35(37-20-18-27(19-21-37)22-26-10-3-1-4-11-26)24-32(33-25-36-34-17-8-7-16-31(33)34)28-12-9-15-30(23-28)39-29-13-5-2-6-14-29/h1-17,23,25,27,32,36H,18-22,24H2
InChIKeyCFODYHUQONHZAD-UHFFFAOYSA-N
XLogP7.96
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-3-(3-phenoxyphenyl)propan-1-one 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

1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one
CID 42802265
(3R)-1-(4-benzylpiperidin-1-yl)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propan-1-one
CID 93125242
(3S)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 93064396
(3R)-1-(4-benzylpiperidin-1-yl)-3-(7-ethyl-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 93122314
(3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide
CID 93064292
(3S)-1-(4-ethylpiperazin-1-yl)-3-(5-nitro-1H-indol-3-yl)-3-(3-phenoxyphenyl)propan-1-one
CID 93299605
(3R)-3-(1-benzylindol-3-yl)-3-(3-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 93052046
1-(4-benzhydrylpiperazin-1-yl)-3-(3,4-dichlorophenyl)-3-(1H-indol-3-yl)propan-1-one
CID 42803011
3-(1H-indol-3-yl)-3-(3-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 3613244
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate
CID 23909728
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 102170720
1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one
CID 42808911

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-3-(3-phenoxyphenyl)propan-1-one?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-3-(3-phenoxyphenyl)propan-1-one (CID 46122904) is 1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-3-(3-phenoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-3-(3-phenoxyphenyl)propan-1-one?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-3-(3-phenoxyphenyl)propan-1-one is O=C(CC(c1cccc(Oc2ccccc2)c1)c1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-3-(3-phenoxyphenyl)propan-1-one?
The InChIKey is CFODYHUQONHZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N2O2/c38-35(37-20-18-27(19-21-37)22-26-10-3-1-4-11-26)24-32(33-25-36-34-17-8-7-16-31(33)34)28-12-9-15-30(23-28)39-29-13-5-2-6-14-29/h1-17,23,25,27,32,36H,18-22,24H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-3-(3-phenoxyphenyl)propan-1-one?
1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-3-(3-phenoxyphenyl)propan-1-one has a molecular weight of 514.67 g/mol, XLogP of 7.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-3-(3-phenoxyphenyl)propan-1-one is sourced from PubChem (CID 46122904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).