3-(4-ethylpiperazin-1-yl)-N-(2-methylphenyl)propanamide

C16H25N3O — CID 772589

IUPAC3-(4-ethylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
SMILESCCN1CCN(CCC(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C16H25N3O/c1-3-18-10-12-19(13-11-18)9-8-16(20)17-15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3,(H,17,20)
InChIKeyJUSRNBBFUNUDBE-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.96
Rot. Bonds5

About 3-(4-ethylpiperazin-1-yl)-N-(2-methylphenyl)propanamide

3-(4-ethylpiperazin-1-yl)-N-(2-methylphenyl)propanamide (PubChem CID 772589) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
PubChem CID772589
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-(4-ethylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
SMILESCCN1CCN(CCC(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C16H25N3O/c1-3-18-10-12-19(13-11-18)9-8-16(20)17-15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3,(H,17,20)
InChIKeyJUSRNBBFUNUDBE-UHFFFAOYSA-N
XLogP1.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(2-methylphenyl)propanamide (CID 772589) is 3-(4-ethylpiperazin-1-yl)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-N-(2-methylphenyl)propanamide is CCN1CCN(CCC(=O)Nc2ccccc2C)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-N-(2-methylphenyl)propanamide?
The InChIKey is JUSRNBBFUNUDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-18-10-12-19(13-11-18)9-8-16(20)17-15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3,(H,17,20).
What are the key properties of 3-(4-ethylpiperazin-1-yl)-N-(2-methylphenyl)propanamide?
3-(4-ethylpiperazin-1-yl)-N-(2-methylphenyl)propanamide has a molecular weight of 275.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 772589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).