4-(4-methylpiperazin-1-yl)-N-(6-phenoxy-1H-indol-3-yl)benzamide

C26H26N4O2 — CID 70984210

IUPAC4-(4-methylpiperazin-1-yl)-N-(6-phenoxy-1H-indol-3-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3c[nH]c4cc(Oc5ccccc5)ccc34)cc2)CC1
InChIInChI=1S/C26H26N4O2/c1-29-13-15-30(16-14-29)20-9-7-19(8-10-20)26(31)28-25-18-27-24-17-22(11-12-23(24)25)32-21-5-3-2-4-6-21/h2-12,17-18,27H,13-16H2,1H3,(H,28,31)
InChIKeyVWJDKFMAFRYUIW-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.96
Rot. Bonds5

About 4-(4-methylpiperazin-1-yl)-N-(6-phenoxy-1H-indol-3-yl)benzamide

4-(4-methylpiperazin-1-yl)-N-(6-phenoxy-1H-indol-3-yl)benzamide (PubChem CID 70984210) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-(6-phenoxy-1H-indol-3-yl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-(6-phenoxy-1H-indol-3-yl)benzamide
PubChem CID70984210
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name4-(4-methylpiperazin-1-yl)-N-(6-phenoxy-1H-indol-3-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3c[nH]c4cc(Oc5ccccc5)ccc34)cc2)CC1
InChIInChI=1S/C26H26N4O2/c1-29-13-15-30(16-14-29)20-9-7-19(8-10-20)26(31)28-25-18-27-24-17-22(11-12-23(24)25)32-21-5-3-2-4-6-21/h2-12,17-18,27H,13-16H2,1H3,(H,28,31)
InChIKeyVWJDKFMAFRYUIW-UHFFFAOYSA-N
XLogP4.96
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpiperazin-1-yl)-N-[6-(2-phenoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982216
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide
CID 117091054
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide
CID 47993620
4-phenoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922461
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide
CID 90595819
4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
CID 46244124
N-[6-(1-benzylpiperidin-1-ium-1-yl)oxy-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 89158415
N-(6-methoxyisoquinolin-8-yl)-4-(4-methylpiperazin-1-yl)benzamide
CID 171512836
N-[3-hydroxy-2-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide
CID 59017240
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 59737553

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(6-phenoxy-1H-indol-3-yl)benzamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(6-phenoxy-1H-indol-3-yl)benzamide (CID 70984210) is 4-(4-methylpiperazin-1-yl)-N-(6-phenoxy-1H-indol-3-yl)benzamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-(6-phenoxy-1H-indol-3-yl)benzamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-(6-phenoxy-1H-indol-3-yl)benzamide is CN1CCN(c2ccc(C(=O)Nc3c[nH]c4cc(Oc5ccccc5)ccc34)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-(6-phenoxy-1H-indol-3-yl)benzamide?
The InChIKey is VWJDKFMAFRYUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-29-13-15-30(16-14-29)20-9-7-19(8-10-20)26(31)28-25-18-27-24-17-22(11-12-23(24)25)32-21-5-3-2-4-6-21/h2-12,17-18,27H,13-16H2,1H3,(H,28,31).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-(6-phenoxy-1H-indol-3-yl)benzamide?
4-(4-methylpiperazin-1-yl)-N-(6-phenoxy-1H-indol-3-yl)benzamide has a molecular weight of 426.52 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-(6-phenoxy-1H-indol-3-yl)benzamide is sourced from PubChem (CID 70984210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).