N-(4-acetylphenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide

C21H32N4O3 — CID 78829581

IUPACN-(4-acetylphenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCCN(CC)C(=O)CN1CCN(C(C)C(=O)Nc2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C21H32N4O3/c1-5-24(6-2)20(27)15-23-11-13-25(14-12-23)16(3)21(28)22-19-9-7-18(8-10-19)17(4)26/h7-10,16H,5-6,11-15H2,1-4H3,(H,22,28)
InChIKeyWVCLCIDAYRRGAB-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.70
Rot. Bonds8

About N-(4-acetylphenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide

N-(4-acetylphenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 78829581) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID78829581
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-(4-acetylphenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCCN(CC)C(=O)CN1CCN(C(C)C(=O)Nc2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C21H32N4O3/c1-5-24(6-2)20(27)15-23-11-13-25(14-12-23)16(3)21(28)22-19-9-7-18(8-10-19)17(4)26/h7-10,16H,5-6,11-15H2,1-4H3,(H,22,28)
InChIKeyWVCLCIDAYRRGAB-UHFFFAOYSA-N
XLogP1.70
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 78828727
N-(2,5-dichlorophenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 78828696
(2R)-N-(4-acetylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 7831719
(2S)-N-(4-acetylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
CID 39985726
(2S)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992
N-(4-acetylphenyl)-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 46444643
4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide
CID 71930636
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4825469
(2R)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774532
2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide
CID 17446120
(2S)-N-(4-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]propanamide
CID 9390965
(2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 30956481

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide (CID 78829581) is N-(4-acetylphenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide is CCN(CC)C(=O)CN1CCN(C(C)C(=O)Nc2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of N-(4-acetylphenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is WVCLCIDAYRRGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-5-24(6-2)20(27)15-23-11-13-25(14-12-23)16(3)21(28)22-19-9-7-18(8-10-19)17(4)26/h7-10,16H,5-6,11-15H2,1-4H3,(H,22,28).
What are the key properties of N-(4-acetylphenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
N-(4-acetylphenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 388.51 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 78829581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).