7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole

C25H33N3O — CID 143503177

IUPAC7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole
SMILESCOc1cccc2ccn(CCCN3CCCN(CCc4ccccc4)CC3)c12
InChIInChI=1S/C25H33N3O/c1-29-24-11-5-10-23-13-19-28(25(23)24)17-7-16-26-14-6-15-27(21-20-26)18-12-22-8-3-2-4-9-22/h2-5,8-11,13,19H,6-7,12,14-18,20-21H2,1H3
InChIKeyTWJXPQKMSAKNTQ-UHFFFAOYSA-N
MW391.56 g/mol
LogP4.29
Rot. Bonds8

About 7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole

7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole (PubChem CID 143503177) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is 7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole.

Molecular Properties

Compound Name7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole
PubChem CID143503177
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC Name7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole
SMILESCOc1cccc2ccn(CCCN3CCCN(CCc4ccccc4)CC3)c12
InChIInChI=1S/C25H33N3O/c1-29-24-11-5-10-23-13-19-28(25(23)24)17-7-16-26-14-6-15-27(21-20-26)18-12-22-8-3-2-4-9-22/h2-5,8-11,13,19H,6-7,12,14-18,20-21H2,1H3
InChIKeyTWJXPQKMSAKNTQ-UHFFFAOYSA-N
XLogP4.29
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
CID 155541951
1-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-4-(3-phenylpropyl)piperazine
CID 155275362
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
3-[4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65431024
[1-(3-phenylpropyl)indol-7-yl]methanol
CID 102911939
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
CID 112808306
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
1-tert-butyl-4-(2-phenylethyl)piperazine
CID 21132134
7-chloro-1-(2-pyrrolidin-1-ylethyl)indole
CID 103475316
oxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 90483761
1-(2-methoxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one
CID 12741873

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole?
The IUPAC name of 7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole (CID 143503177) is 7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole.
What is the SMILES notation for 7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole?
The canonical SMILES for 7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole is COc1cccc2ccn(CCCN3CCCN(CCc4ccccc4)CC3)c12.
What is the InChIKey of 7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole?
The InChIKey is TWJXPQKMSAKNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-29-24-11-5-10-23-13-19-28(25(23)24)17-7-16-26-14-6-15-27(21-20-26)18-12-22-8-3-2-4-9-22/h2-5,8-11,13,19H,6-7,12,14-18,20-21H2,1H3.
What are the key properties of 7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole?
7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole has a molecular weight of 391.56 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indole is sourced from PubChem (CID 143503177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).