2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone

C20H28F2N4O3 — CID 112796891

IUPAC2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
SMILESCC(NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C20H28F2N4O3/c1-15(17-3-2-16(21)12-18(17)22)23-13-19(27)25-6-4-24(5-7-25)14-20(28)26-8-10-29-11-9-26/h2-3,12,15,23H,4-11,13-14H2,1H3
InChIKeySHGLPMXKPLNWFP-UHFFFAOYSA-N
MW410.47 g/mol
LogP0.62
Rot. Bonds6

About 2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone

2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone (PubChem CID 112796891) has the molecular formula C20H28F2N4O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
PubChem CID112796891
Molecular FormulaC20H28F2N4O3
Molecular Weight410.47 g/mol
Exact Mass410.21
IUPAC Name2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
SMILESCC(NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C20H28F2N4O3/c1-15(17-3-2-16(21)12-18(17)22)23-13-19(27)25-6-4-24(5-7-25)14-20(28)26-8-10-29-11-9-26/h2-3,12,15,23H,4-11,13-14H2,1H3
InChIKeySHGLPMXKPLNWFP-UHFFFAOYSA-N
XLogP0.62
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone
CID 167966859
2-[1-(2,4-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115573568
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81379809
2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 78754211
N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 17425435
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81348384
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 8688565
1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178928
1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55596207
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 51928393
2-(2,4-difluoroanilino)-1-morpholin-4-ylethanone
CID 28582837
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81374136

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone (CID 112796891) is 2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone is CC(NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(F)cc1F.
What is the InChIKey of 2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone?
The InChIKey is SHGLPMXKPLNWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N4O3/c1-15(17-3-2-16(21)12-18(17)22)23-13-19(27)25-6-4-24(5-7-25)14-20(28)26-8-10-29-11-9-26/h2-3,12,15,23H,4-11,13-14H2,1H3.
What are the key properties of 2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone?
2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone has a molecular weight of 410.47 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 112796891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).