2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-ethylacetamide

C19H28N4O2 — CID 36895358

IUPAC2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(CCC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C19H28N4O2/c1-2-20-18(24)15-22-13-11-21(12-14-22)9-8-19(25)23-10-7-16-5-3-4-6-17(16)23/h3-6H,2,7-15H2,1H3,(H,20,24)
InChIKeyOKSBSDXQQOANJY-UHFFFAOYSA-N
MW344.46 g/mol
LogP0.72
Rot. Bonds6

About 2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-ethylacetamide

2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-ethylacetamide (PubChem CID 36895358) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-ethylacetamide
PubChem CID36895358
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(CCC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C19H28N4O2/c1-2-20-18(24)15-22-13-11-21(12-14-22)9-8-19(25)23-10-7-16-5-3-4-6-17(16)23/h3-6H,2,7-15H2,1H3,(H,20,24)
InChIKeyOKSBSDXQQOANJY-UHFFFAOYSA-N
XLogP0.72
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 18133495
3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665042
1-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110665050
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 46662988
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 30099955
2-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-ethylacetamide
CID 86923494
1-(2,3-dihydroindol-1-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 51302576
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665056

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-ethylacetamide (CID 36895358) is 2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(CCC(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-ethylacetamide?
The InChIKey is OKSBSDXQQOANJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-2-20-18(24)15-22-13-11-21(12-14-22)9-8-19(25)23-10-7-16-5-3-4-6-17(16)23/h3-6H,2,7-15H2,1H3,(H,20,24).
What are the key properties of 2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-ethylacetamide?
2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-ethylacetamide has a molecular weight of 344.46 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 36895358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).