4-(4-benzylpiperazin-1-yl)-2-[(2-methoxy-4-pyridinyl)methyl]isoindole

C26H28N4O — CID 67046224

IUPAC4-(4-benzylpiperazin-1-yl)-2-[(2-methoxy-4-pyridinyl)methyl]isoindole
SMILESCOc1cc(Cn2cc3cccc(N4CCN(Cc5ccccc5)CC4)c3c2)ccn1
InChIInChI=1S/C26H28N4O/c1-31-26-16-22(10-11-27-26)18-29-19-23-8-5-9-25(24(23)20-29)30-14-12-28(13-15-30)17-21-6-3-2-4-7-21/h2-11,16,19-20H,12-15,17-18H2,1H3
InChIKeyVMCACJDHXGHMJW-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.42
Rot. Bonds6

About 4-(4-benzylpiperazin-1-yl)-2-[(2-methoxy-4-pyridinyl)methyl]isoindole

4-(4-benzylpiperazin-1-yl)-2-[(2-methoxy-4-pyridinyl)methyl]isoindole (PubChem CID 67046224) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-2-[(2-methoxy-4-pyridinyl)methyl]isoindole.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-2-[(2-methoxy-4-pyridinyl)methyl]isoindole
PubChem CID67046224
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name4-(4-benzylpiperazin-1-yl)-2-[(2-methoxy-4-pyridinyl)methyl]isoindole
SMILESCOc1cc(Cn2cc3cccc(N4CCN(Cc5ccccc5)CC4)c3c2)ccn1
InChIInChI=1S/C26H28N4O/c1-31-26-16-22(10-11-27-26)18-29-19-23-8-5-9-25(24(23)20-29)30-14-12-28(13-15-30)17-21-6-3-2-4-7-21/h2-11,16,19-20H,12-15,17-18H2,1H3
InChIKeyVMCACJDHXGHMJW-UHFFFAOYSA-N
XLogP4.42
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-benzylpiperazin-1-yl)-2-[(2-methoxy-4-pyridinyl)methyl]isoindole with MolForge

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl]-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]isoindole
CID 174578127
2-[(3,4-dimethoxyphenyl)methyl]-4-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]isoindole
CID 141184565
4-[[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 166605362
4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline
CID 43840526
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-methoxy-4-pyridinyl)methyl]piperazine
CID 171701507
8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline
CID 18414092
1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine
CID 171690317
4-(4-benzylpiperazin-1-yl)-6-chloroquinoline
CID 43840532
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 154575770
1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine
CID 172891684
1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine
CID 138460517

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-2-[(2-methoxy-4-pyridinyl)methyl]isoindole?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-2-[(2-methoxy-4-pyridinyl)methyl]isoindole (CID 67046224) is 4-(4-benzylpiperazin-1-yl)-2-[(2-methoxy-4-pyridinyl)methyl]isoindole.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-2-[(2-methoxy-4-pyridinyl)methyl]isoindole?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-2-[(2-methoxy-4-pyridinyl)methyl]isoindole is COc1cc(Cn2cc3cccc(N4CCN(Cc5ccccc5)CC4)c3c2)ccn1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-2-[(2-methoxy-4-pyridinyl)methyl]isoindole?
The InChIKey is VMCACJDHXGHMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-31-26-16-22(10-11-27-26)18-29-19-23-8-5-9-25(24(23)20-29)30-14-12-28(13-15-30)17-21-6-3-2-4-7-21/h2-11,16,19-20H,12-15,17-18H2,1H3.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-2-[(2-methoxy-4-pyridinyl)methyl]isoindole?
4-(4-benzylpiperazin-1-yl)-2-[(2-methoxy-4-pyridinyl)methyl]isoindole has a molecular weight of 412.54 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-2-[(2-methoxy-4-pyridinyl)methyl]isoindole is sourced from PubChem (CID 67046224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).