N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide

C21H32N4O3 — CID 86916143

IUPACN-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
SMILESCCc1ccc(C(C)NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1
InChIInChI=1S/C21H32N4O3/c1-3-18-4-6-19(7-5-18)17(2)22-21(27)25-10-8-24(9-11-25)20(26)16-23-12-14-28-15-13-23/h4-7,17H,3,8-16H2,1-2H3,(H,22,27)
InChIKeyUQIWHAUMFGFXEW-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.50
Rot. Bonds5

About N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide

N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide (PubChem CID 86916143) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
PubChem CID86916143
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
SMILESCCc1ccc(C(C)NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1
InChIInChI=1S/C21H32N4O3/c1-3-18-4-6-19(7-5-18)17(2)22-21(27)25-10-8-24(9-11-25)20(26)16-23-12-14-28-15-13-23/h4-7,17H,3,8-16H2,1-2H3,(H,22,27)
InChIKeyUQIWHAUMFGFXEW-UHFFFAOYSA-N
XLogP1.50
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide
CID 86999696
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 51928393
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 2534176
N-butan-2-yl-2-[4-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 86923605
N-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide
CID 24840182
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 126432772
N-benzyl-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 24664690
2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 86879454
2-morpholin-4-yl-1-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 78835226
2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide
CID 108508281
N-[1-(2-chlorophenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
CID 86914240

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide (CID 86916143) is N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide is CCc1ccc(C(C)NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide?
The InChIKey is UQIWHAUMFGFXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-3-18-4-6-19(7-5-18)17(2)22-21(27)25-10-8-24(9-11-25)20(26)16-23-12-14-28-15-13-23/h4-7,17H,3,8-16H2,1-2H3,(H,22,27).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide?
N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide is sourced from PubChem (CID 86916143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).