3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide

C19H28N4O — CID 95604374

IUPAC3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESC[C@H](CNC(=O)CCc1c[nH]c2ccccc12)N1CCN(C)CC1
InChIInChI=1S/C19H28N4O/c1-15(23-11-9-22(2)10-12-23)13-21-19(24)8-7-16-14-20-18-6-4-3-5-17(16)18/h3-6,14-15,20H,7-13H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyJFBWEUGEDQEEGA-OAHLLOKOSA-N
MW328.46 g/mol
LogP1.85
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide

3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide (PubChem CID 95604374) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide
PubChem CID95604374
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESC[C@H](CNC(=O)CCc1c[nH]c2ccccc12)N1CCN(C)CC1
InChIInChI=1S/C19H28N4O/c1-15(23-11-9-22(2)10-12-23)13-21-19(24)8-7-16-14-20-18-6-4-3-5-17(16)18/h3-6,14-15,20H,7-13H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyJFBWEUGEDQEEGA-OAHLLOKOSA-N
XLogP1.85
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
CID 78909578
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3-(1H-indol-3-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
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N-(2-amino-3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
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3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 2552209
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N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide
CID 4807743
3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 41291005
N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
CID 64597246
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
N-(2-cyclopropylpropyl)-4-(1H-indol-3-yl)butanamide
CID 115591193

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide (CID 95604374) is 3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide is C[C@H](CNC(=O)CCc1c[nH]c2ccccc12)N1CCN(C)CC1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide?
The InChIKey is JFBWEUGEDQEEGA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15(23-11-9-22(2)10-12-23)13-21-19(24)8-7-16-14-20-18-6-4-3-5-17(16)18/h3-6,14-15,20H,7-13H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of 3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide?
3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide has a molecular weight of 328.46 g/mol, XLogP of 1.85, 6 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-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 95604374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).