2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide

C17H27N3O — CID 78787136

IUPAC2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide
SMILESCCN1CCN(C(C)C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-4-19-10-12-20(13-11-19)15(3)17(21)18-14(2)16-8-6-5-7-9-16/h5-9,14-15H,4,10-13H2,1-3H3,(H,18,21)
InChIKeyIAMDPXSORUADHV-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.89
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide

2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide (PubChem CID 78787136) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide
PubChem CID78787136
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide
SMILESCCN1CCN(C(C)C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-4-19-10-12-20(13-11-19)15(3)17(21)18-14(2)16-8-6-5-7-9-16/h5-9,14-15H,4,10-13H2,1-3H3,(H,18,21)
InChIKeyIAMDPXSORUADHV-UHFFFAOYSA-N
XLogP1.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-morpholin-4-yl-N-[(1S)-1-phenylethyl]propanamide
CID 27067773
2-morpholin-4-yl-N-(1-phenylethyl)propanamide
CID 42913456
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 75810047
(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 30723875
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 40792883
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1-phenylbutyl)propanamide
CID 75744030
2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800680
N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 16787878
(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide
CID 1439178
(2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide
CID 9276310

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide (CID 78787136) is 2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide is CCN1CCN(C(C)C(=O)NC(C)c2ccccc2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide?
The InChIKey is IAMDPXSORUADHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-19-10-12-20(13-11-19)15(3)17(21)18-14(2)16-8-6-5-7-9-16/h5-9,14-15H,4,10-13H2,1-3H3,(H,18,21).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide?
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 78787136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).