N-benzyl-3-[4-(1-benzylindol-4-yl)piperazin-1-yl]-N-methylpropan-1-amine

C30H36N4 — CID 155554556

IUPACN-benzyl-3-[4-(1-benzylindol-4-yl)piperazin-1-yl]-N-methylpropan-1-amine
SMILESCN(CCCN1CCN(c2cccc3c2ccn3Cc2ccccc2)CC1)Cc1ccccc1
InChIInChI=1S/C30H36N4/c1-31(24-26-10-4-2-5-11-26)17-9-18-32-20-22-33(23-21-32)29-14-8-15-30-28(29)16-19-34(30)25-27-12-6-3-7-13-27/h2-8,10-16,19H,9,17-18,20-25H2,1H3
InChIKeyMJYYXZHRGNMTLG-UHFFFAOYSA-N
MW452.65 g/mol
LogP5.33
Rot. Bonds9

About N-benzyl-3-[4-(1-benzylindol-4-yl)piperazin-1-yl]-N-methylpropan-1-amine

N-benzyl-3-[4-(1-benzylindol-4-yl)piperazin-1-yl]-N-methylpropan-1-amine (PubChem CID 155554556) has the molecular formula C30H36N4 and a molecular weight of 452.65 g/mol. Its IUPAC name is N-benzyl-3-[4-(1-benzylindol-4-yl)piperazin-1-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-[4-(1-benzylindol-4-yl)piperazin-1-yl]-N-methylpropan-1-amine
PubChem CID155554556
Molecular FormulaC30H36N4
Molecular Weight452.65 g/mol
Exact Mass452.29
IUPAC NameN-benzyl-3-[4-(1-benzylindol-4-yl)piperazin-1-yl]-N-methylpropan-1-amine
SMILESCN(CCCN1CCN(c2cccc3c2ccn3Cc2ccccc2)CC1)Cc1ccccc1
InChIInChI=1S/C30H36N4/c1-31(24-26-10-4-2-5-11-26)17-9-18-32-20-22-33(23-21-32)29-14-8-15-30-28(29)16-19-34(30)25-27-12-6-3-7-13-27/h2-8,10-16,19H,9,17-18,20-25H2,1H3
InChIKeyMJYYXZHRGNMTLG-UHFFFAOYSA-N
XLogP5.33
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.65
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[4-(1-benzylindol-4-yl)piperazin-1-yl]-N-methylpropan-1-amine?
The IUPAC name of N-benzyl-3-[4-(1-benzylindol-4-yl)piperazin-1-yl]-N-methylpropan-1-amine (CID 155554556) is N-benzyl-3-[4-(1-benzylindol-4-yl)piperazin-1-yl]-N-methylpropan-1-amine.
What is the SMILES notation for N-benzyl-3-[4-(1-benzylindol-4-yl)piperazin-1-yl]-N-methylpropan-1-amine?
The canonical SMILES for N-benzyl-3-[4-(1-benzylindol-4-yl)piperazin-1-yl]-N-methylpropan-1-amine is CN(CCCN1CCN(c2cccc3c2ccn3Cc2ccccc2)CC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-[4-(1-benzylindol-4-yl)piperazin-1-yl]-N-methylpropan-1-amine?
The InChIKey is MJYYXZHRGNMTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4/c1-31(24-26-10-4-2-5-11-26)17-9-18-32-20-22-33(23-21-32)29-14-8-15-30-28(29)16-19-34(30)25-27-12-6-3-7-13-27/h2-8,10-16,19H,9,17-18,20-25H2,1H3.
What are the key properties of N-benzyl-3-[4-(1-benzylindol-4-yl)piperazin-1-yl]-N-methylpropan-1-amine?
N-benzyl-3-[4-(1-benzylindol-4-yl)piperazin-1-yl]-N-methylpropan-1-amine has a molecular weight of 452.65 g/mol, XLogP of 5.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[4-(1-benzylindol-4-yl)piperazin-1-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 155554556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).