3-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one

C29H36N2O3 — CID 83285067

IUPAC3-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(Cn2cc(C(CC(=O)N3CCOCC3)C3CCCCC3)c3ccccc32)cc1
InChIInChI=1S/C29H36N2O3/c1-33-24-13-11-22(12-14-24)20-31-21-27(25-9-5-6-10-28(25)31)26(23-7-3-2-4-8-23)19-29(32)30-15-17-34-18-16-30/h5-6,9-14,21,23,26H,2-4,7-8,15-20H2,1H3
InChIKeyXKOWDHBQOMQFSL-UHFFFAOYSA-N
MW460.62 g/mol
LogP5.61
Rot. Bonds7

About 3-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one

3-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 83285067) has the molecular formula C29H36N2O3 and a molecular weight of 460.62 g/mol. Its IUPAC name is 3-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID83285067
Molecular FormulaC29H36N2O3
Molecular Weight460.62 g/mol
Exact Mass460.27
IUPAC Name3-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(Cn2cc(C(CC(=O)N3CCOCC3)C3CCCCC3)c3ccccc32)cc1
InChIInChI=1S/C29H36N2O3/c1-33-24-13-11-22(12-14-24)20-31-21-27(25-9-5-6-10-28(25)31)26(23-7-3-2-4-8-23)19-29(32)30-15-17-34-18-16-30/h5-6,9-14,21,23,26H,2-4,7-8,15-20H2,1H3
InChIKeyXKOWDHBQOMQFSL-UHFFFAOYSA-N
XLogP5.61
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-morpholin-4-yl-3-(3-phenoxyphenyl)propan-1-one
CID 98443953
3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(4-nitrophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 83285062
(3R)-3-cyclohexyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 93299629
(3R)-3-(1-benzylindol-3-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 98443772
3-(1-benzylindol-3-yl)-3-(4-methoxy-3-phenylmethoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 83275448
N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 71462946
(3S)-3-(3,5-dimethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 98431828
(3R)-3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
CID 98443323
3-(3,5-dimethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanoic acid
CID 42778189
N-ethyl-N-(4-methoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 30288584
3-cyclohexyl-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 83285670
3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 110673887

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one (CID 83285067) is 3-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one is COc1ccc(Cn2cc(C(CC(=O)N3CCOCC3)C3CCCCC3)c3ccccc32)cc1.
What is the InChIKey of 3-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is XKOWDHBQOMQFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O3/c1-33-24-13-11-22(12-14-24)20-31-21-27(25-9-5-6-10-28(25)31)26(23-7-3-2-4-8-23)19-29(32)30-15-17-34-18-16-30/h5-6,9-14,21,23,26H,2-4,7-8,15-20H2,1H3.
What are the key properties of 3-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one?
3-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 460.62 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 83285067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).