N-[2-(2-methylindol-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzamide

C23H28N4O — CID 90680548

IUPACN-[2-(2-methylindol-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1cccc(N2CCN(C)CC2)c1
InChIInChI=1S/C23H28N4O/c1-18-16-19-6-3-4-9-22(19)27(18)11-10-24-23(28)20-7-5-8-21(17-20)26-14-12-25(2)13-15-26/h3-9,16-17H,10-15H2,1-2H3,(H,24,28)
InChIKeyCZRIMOWJKYTMCG-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.13
Rot. Bonds5

About N-[2-(2-methylindol-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzamide

N-[2-(2-methylindol-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzamide (PubChem CID 90680548) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[2-(2-methylindol-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylindol-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzamide
PubChem CID90680548
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[2-(2-methylindol-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1cccc(N2CCN(C)CC2)c1
InChIInChI=1S/C23H28N4O/c1-18-16-19-6-3-4-9-22(19)27(18)11-10-24-23(28)20-7-5-8-21(17-20)26-14-12-25(2)13-15-26/h3-9,16-17H,10-15H2,1-2H3,(H,24,28)
InChIKeyCZRIMOWJKYTMCG-UHFFFAOYSA-N
XLogP3.13
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
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]-3-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzamide (CID 90680548) is N-[2-(2-methylindol-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-methylindol-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[2-(2-methylindol-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzamide is Cc1cc2ccccc2n1CCNC(=O)c1cccc(N2CCN(C)CC2)c1.
What is the InChIKey of N-[2-(2-methylindol-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is CZRIMOWJKYTMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-18-16-19-6-3-4-9-22(19)27(18)11-10-24-23(28)20-7-5-8-21(17-20)26-14-12-25(2)13-15-26/h3-9,16-17H,10-15H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(2-methylindol-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzamide?
N-[2-(2-methylindol-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 376.50 g/mol, XLogP of 3.13, 5 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]-3-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 90680548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).