6-methoxy-3-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole

C27H29N3O2 — CID 132543340

IUPAC6-methoxy-3-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole
SMILESCOc1ccc(-c2c(CN3CCN(c4ccccc4)CC3)[nH]c3cc(OC)ccc23)cc1
InChIInChI=1S/C27H29N3O2/c1-31-22-10-8-20(9-11-22)27-24-13-12-23(32-2)18-25(24)28-26(27)19-29-14-16-30(17-15-29)21-6-4-3-5-7-21/h3-13,18,28H,14-17,19H2,1-2H3
InChIKeyXVMYQDFXEXWTRZ-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.17
Rot. Bonds6

About 6-methoxy-3-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole

6-methoxy-3-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole (PubChem CID 132543340) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 6-methoxy-3-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name6-methoxy-3-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole
PubChem CID132543340
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name6-methoxy-3-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole
SMILESCOc1ccc(-c2c(CN3CCN(c4ccccc4)CC3)[nH]c3cc(OC)ccc23)cc1
InChIInChI=1S/C27H29N3O2/c1-31-22-10-8-20(9-11-22)27-24-13-12-23(32-2)18-25(24)28-26(27)19-29-14-16-30(17-15-29)21-6-4-3-5-7-21/h3-13,18,28H,14-17,19H2,1-2H3
InChIKeyXVMYQDFXEXWTRZ-UHFFFAOYSA-N
XLogP5.17
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-3-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole with MolForge

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Related Compounds

7-methoxy-1-[(4-phenylpiperazin-1-yl)methyl]naphthalen-2-ol
CID 2672003
5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole
CID 154090742
1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine
CID 155537825
2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3-iodo-6-methoxy-1H-indole
CID 139991044
7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol
CID 2672032
1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine
CID 92967649
methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-6-methoxy-1H-indole-2-carboxylate
CID 4678285
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 56714788
4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135520797
N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
CID 155533577
5,6-dimethoxy-2-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole;hydron
CID 68658379

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole?
The IUPAC name of 6-methoxy-3-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole (CID 132543340) is 6-methoxy-3-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole.
What is the SMILES notation for 6-methoxy-3-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole?
The canonical SMILES for 6-methoxy-3-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole is COc1ccc(-c2c(CN3CCN(c4ccccc4)CC3)[nH]c3cc(OC)ccc23)cc1.
What is the InChIKey of 6-methoxy-3-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole?
The InChIKey is XVMYQDFXEXWTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-31-22-10-8-20(9-11-22)27-24-13-12-23(32-2)18-25(24)28-26(27)19-29-14-16-30(17-15-29)21-6-4-3-5-7-21/h3-13,18,28H,14-17,19H2,1-2H3.
What are the key properties of 6-methoxy-3-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole?
6-methoxy-3-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole has a molecular weight of 427.55 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole is sourced from PubChem (CID 132543340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).