2-(1H-indol-5-yloxy)-4-[4-[1-(4-methylphenyl)butyl]piperazin-1-yl]benzamide

C30H34N4O2 — CID 165136389

IUPAC2-(1H-indol-5-yloxy)-4-[4-[1-(4-methylphenyl)butyl]piperazin-1-yl]benzamide
SMILESCCCC(c1ccc(C)cc1)N1CCN(c2ccc(C(N)=O)c(Oc3ccc4[nH]ccc4c3)c2)CC1
InChIInChI=1S/C30H34N4O2/c1-3-4-28(22-7-5-21(2)6-8-22)34-17-15-33(16-18-34)24-9-11-26(30(31)35)29(20-24)36-25-10-12-27-23(19-25)13-14-32-27/h5-14,19-20,28,32H,3-4,15-18H2,1-2H3,(H2,31,35)
InChIKeyTXDUCDCVFFKYTA-UHFFFAOYSA-N
MW482.63 g/mol
LogP6.03
Rot. Bonds8

About 2-(1H-indol-5-yloxy)-4-[4-[1-(4-methylphenyl)butyl]piperazin-1-yl]benzamide

2-(1H-indol-5-yloxy)-4-[4-[1-(4-methylphenyl)butyl]piperazin-1-yl]benzamide (PubChem CID 165136389) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 2-(1H-indol-5-yloxy)-4-[4-[1-(4-methylphenyl)butyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name2-(1H-indol-5-yloxy)-4-[4-[1-(4-methylphenyl)butyl]piperazin-1-yl]benzamide
PubChem CID165136389
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name2-(1H-indol-5-yloxy)-4-[4-[1-(4-methylphenyl)butyl]piperazin-1-yl]benzamide
SMILESCCCC(c1ccc(C)cc1)N1CCN(c2ccc(C(N)=O)c(Oc3ccc4[nH]ccc4c3)c2)CC1
InChIInChI=1S/C30H34N4O2/c1-3-4-28(22-7-5-21(2)6-8-22)34-17-15-33(16-18-34)24-9-11-26(30(31)35)29(20-24)36-25-10-12-27-23(19-25)13-14-32-27/h5-14,19-20,28,32H,3-4,15-18H2,1-2H3,(H2,31,35)
InChIKeyTXDUCDCVFFKYTA-UHFFFAOYSA-N
XLogP6.03
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yloxy)-4-[4-[1-(4-methylphenyl)butyl]piperazin-1-yl]benzamide?
The IUPAC name of 2-(1H-indol-5-yloxy)-4-[4-[1-(4-methylphenyl)butyl]piperazin-1-yl]benzamide (CID 165136389) is 2-(1H-indol-5-yloxy)-4-[4-[1-(4-methylphenyl)butyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 2-(1H-indol-5-yloxy)-4-[4-[1-(4-methylphenyl)butyl]piperazin-1-yl]benzamide?
The canonical SMILES for 2-(1H-indol-5-yloxy)-4-[4-[1-(4-methylphenyl)butyl]piperazin-1-yl]benzamide is CCCC(c1ccc(C)cc1)N1CCN(c2ccc(C(N)=O)c(Oc3ccc4[nH]ccc4c3)c2)CC1.
What is the InChIKey of 2-(1H-indol-5-yloxy)-4-[4-[1-(4-methylphenyl)butyl]piperazin-1-yl]benzamide?
The InChIKey is TXDUCDCVFFKYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-3-4-28(22-7-5-21(2)6-8-22)34-17-15-33(16-18-34)24-9-11-26(30(31)35)29(20-24)36-25-10-12-27-23(19-25)13-14-32-27/h5-14,19-20,28,32H,3-4,15-18H2,1-2H3,(H2,31,35).
What are the key properties of 2-(1H-indol-5-yloxy)-4-[4-[1-(4-methylphenyl)butyl]piperazin-1-yl]benzamide?
2-(1H-indol-5-yloxy)-4-[4-[1-(4-methylphenyl)butyl]piperazin-1-yl]benzamide has a molecular weight of 482.63 g/mol, XLogP of 6.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yloxy)-4-[4-[1-(4-methylphenyl)butyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 165136389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).