N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide

C17H24N4O2 — CID 134813181

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESCN1CCN(CCNC(=O)CC2C(=O)Nc3ccccc32)CC1
InChIInChI=1S/C17H24N4O2/c1-20-8-10-21(11-9-20)7-6-18-16(22)12-14-13-4-2-3-5-15(13)19-17(14)23/h2-5,14H,6-12H2,1H3,(H,18,22)(H,19,23)
InChIKeyRYOVHGNLEVZFFD-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.48
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide

N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide (PubChem CID 134813181) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
PubChem CID134813181
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESCN1CCN(CCNC(=O)CC2C(=O)Nc3ccccc32)CC1
InChIInChI=1S/C17H24N4O2/c1-20-8-10-21(11-9-20)7-6-18-16(22)12-14-13-4-2-3-5-15(13)19-17(14)23/h2-5,14H,6-12H2,1H3,(H,18,22)(H,19,23)
InChIKeyRYOVHGNLEVZFFD-UHFFFAOYSA-N
XLogP0.48
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide (CID 134813181) is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide is CN1CCN(CCNC(=O)CC2C(=O)Nc3ccccc32)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The InChIKey is RYOVHGNLEVZFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-20-8-10-21(11-9-20)7-6-18-16(22)12-14-13-4-2-3-5-15(13)19-17(14)23/h2-5,14H,6-12H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide has a molecular weight of 316.40 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide is sourced from PubChem (CID 134813181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).