(5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

C24H29N3O5 — CID 67867873

IUPAC(5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCN(Cc4cc(OC)c(OC)c(OC)c4)CC3)cc2c1
InChIInChI=1S/C24H29N3O5/c1-29-18-5-6-19-17(13-18)14-20(25-19)24(28)27-9-7-26(8-10-27)15-16-11-21(30-2)23(32-4)22(12-16)31-3/h5-6,11-14,25H,7-10,15H2,1-4H3
InChIKeyBEXGRGWRRHXFGH-UHFFFAOYSA-N
MW439.51 g/mol
LogP3.16
Rot. Bonds7

About (5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

(5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 67867873) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is (5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID67867873
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name(5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCN(Cc4cc(OC)c(OC)c(OC)c4)CC3)cc2c1
InChIInChI=1S/C24H29N3O5/c1-29-18-5-6-19-17(13-18)14-20(25-19)24(28)27-9-7-26(8-10-27)15-16-11-21(30-2)23(32-4)22(12-16)31-3/h5-6,11-14,25H,7-10,15H2,1-4H3
InChIKeyBEXGRGWRRHXFGH-UHFFFAOYSA-N
XLogP3.16
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(3,4-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013211
(3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013228
(5-methyl-1H-indol-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 122434949
[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 997986
3-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 37279964
(6-ethoxy-1H-indol-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 55825733
(1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 14676158
[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;oxalic acid
CID 126476745
1,6-dimethyl-3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
CID 46970932
2-chloro-1-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 10759766
1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 2874283
(6S)-6-[(4-benzoylpiperazin-1-yl)methyl]-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600462

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (CID 67867873) is (5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is COc1ccc2[nH]c(C(=O)N3CCN(Cc4cc(OC)c(OC)c(OC)c4)CC3)cc2c1.
What is the InChIKey of (5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is BEXGRGWRRHXFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-29-18-5-6-19-17(13-18)14-20(25-19)24(28)27-9-7-26(8-10-27)15-16-11-21(30-2)23(32-4)22(12-16)31-3/h5-6,11-14,25H,7-10,15H2,1-4H3.
What are the key properties of (5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
(5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 439.51 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 67867873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).