N-[2-(2-methylindol-1-yl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C24H30N4O — CID 90680603

IUPACN-[2-(2-methylindol-1-yl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C24H30N4O/c1-19-17-22-5-3-4-6-23(22)28(19)12-11-25-24(29)21-9-7-20(8-10-21)18-27-15-13-26(2)14-16-27/h3-10,17H,11-16,18H2,1-2H3,(H,25,29)
InChIKeyAJSCOBFZLKXGDS-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.13
Rot. Bonds6

About N-[2-(2-methylindol-1-yl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

N-[2-(2-methylindol-1-yl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 90680603) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[2-(2-methylindol-1-yl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-methylindol-1-yl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID90680603
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-[2-(2-methylindol-1-yl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C24H30N4O/c1-19-17-22-5-3-4-6-23(22)28(19)12-11-25-24(29)21-9-7-20(8-10-21)18-27-15-13-26(2)14-16-27/h3-10,17H,11-16,18H2,1-2H3,(H,25,29)
InChIKeyAJSCOBFZLKXGDS-UHFFFAOYSA-N
XLogP3.13
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 90680603) is N-[2-(2-methylindol-1-yl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[2-(2-methylindol-1-yl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-[2-(2-methylindol-1-yl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is Cc1cc2ccccc2n1CCNC(=O)c1ccc(CN2CCN(C)CC2)cc1.
What is the InChIKey of N-[2-(2-methylindol-1-yl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is AJSCOBFZLKXGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-19-17-22-5-3-4-6-23(22)28(19)12-11-25-24(29)21-9-7-20(8-10-21)18-27-15-13-26(2)14-16-27/h3-10,17H,11-16,18H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(2-methylindol-1-yl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
N-[2-(2-methylindol-1-yl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 390.53 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylindol-1-yl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 90680603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).