N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide

C23H35FN4O3 — CID 86904501

IUPACN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(C(C)C(=O)N2CCOCC2)CC1)C(C)c1ccc(F)cc1
InChIInChI=1S/C23H35FN4O3/c1-4-28(18(2)20-5-7-21(24)8-6-20)22(29)17-25-9-11-26(12-10-25)19(3)23(30)27-13-15-31-16-14-27/h5-8,18-19H,4,9-17H2,1-3H3
InChIKeyFVHUPPBMXFPIQX-UHFFFAOYSA-N
MW434.56 g/mol
LogP1.60
Rot. Bonds7

About N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide (PubChem CID 86904501) has the molecular formula C23H35FN4O3 and a molecular weight of 434.56 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide
PubChem CID86904501
Molecular FormulaC23H35FN4O3
Molecular Weight434.56 g/mol
Exact Mass434.27
IUPAC NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(C(C)C(=O)N2CCOCC2)CC1)C(C)c1ccc(F)cc1
InChIInChI=1S/C23H35FN4O3/c1-4-28(18(2)20-5-7-21(24)8-6-20)22(29)17-25-9-11-26(12-10-25)19(3)23(30)27-13-15-31-16-14-27/h5-8,18-19H,4,9-17H2,1-3H3
InChIKeyFVHUPPBMXFPIQX-UHFFFAOYSA-N
XLogP1.60
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 46614351
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 87012516
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208
4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide
CID 86969723
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 78899257
N-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide
CID 86904519
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81347605
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 78808588
2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one
CID 84588764
N-(2,6-dichlorophenyl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide
CID 86904487
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 2534176
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 78892655

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide (CID 86904501) is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide is CCN(C(=O)CN1CCN(C(C)C(=O)N2CCOCC2)CC1)C(C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide?
The InChIKey is FVHUPPBMXFPIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35FN4O3/c1-4-28(18(2)20-5-7-21(24)8-6-20)22(29)17-25-9-11-26(12-10-25)19(3)23(30)27-13-15-31-16-14-27/h5-8,18-19H,4,9-17H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide?
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide has a molecular weight of 434.56 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86904501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).