3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide

C16H22N4O — CID 78909578

IUPAC3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(NC(=O)CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H22N4O/c1-19-8-10-20(11-9-19)18-16(21)7-6-13-12-17-15-5-3-2-4-14(13)15/h2-5,12,17H,6-11H2,1H3,(H,18,21)
InChIKeyMZTPRGOFQVQVRI-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.38
Rot. Bonds4

About 3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide

3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide (PubChem CID 78909578) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
PubChem CID78909578
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(NC(=O)CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H22N4O/c1-19-8-10-20(11-9-19)18-16(21)7-6-13-12-17-15-5-3-2-4-14(13)15/h2-5,12,17H,6-11H2,1H3,(H,18,21)
InChIKeyMZTPRGOFQVQVRI-UHFFFAOYSA-N
XLogP1.38
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95604374
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-(1H-indol-3-yl)propanoyloxidanium
CID 142492757
3-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide
CID 70159944
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
2-[3-(1H-indol-3-yl)propanoylamino]acetate
CID 7677841
2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
CID 83016661
1-(1H-indol-3-yl)hexan-3-one
CID 166814803
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide (CID 78909578) is 3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide is CN1CCN(NC(=O)CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is MZTPRGOFQVQVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19-8-10-20(11-9-19)18-16(21)7-6-13-12-17-15-5-3-2-4-14(13)15/h2-5,12,17H,6-11H2,1H3,(H,18,21).
What are the key properties of 3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide?
3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 286.38 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 78909578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).