2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-ethylamino]-N-ethylacetamide

C20H31ClN4O3 — CID 8683207

IUPAC2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)CC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H31ClN4O3/c1-3-22-19(26)15-23(4-2)16-20(27)25-11-9-24(10-12-25)13-14-28-18-7-5-17(21)6-8-18/h5-8H,3-4,9-16H2,1-2H3,(H,22,26)
InChIKeyUWOMZJPARJABIF-UHFFFAOYSA-N
MW410.95 g/mol
LogP1.32
Rot. Bonds10

About 2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-ethylamino]-N-ethylacetamide

2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-ethylamino]-N-ethylacetamide (PubChem CID 8683207) has the molecular formula C20H31ClN4O3 and a molecular weight of 410.95 g/mol. Its IUPAC name is 2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-ethylamino]-N-ethylacetamide
PubChem CID8683207
Molecular FormulaC20H31ClN4O3
Molecular Weight410.95 g/mol
Exact Mass410.21
IUPAC Name2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)CC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H31ClN4O3/c1-3-22-19(26)15-23(4-2)16-20(27)25-11-9-24(10-12-25)13-14-28-18-7-5-17(21)6-8-18/h5-8H,3-4,9-16H2,1-2H3,(H,22,26)
InChIKeyUWOMZJPARJABIF-UHFFFAOYSA-N
XLogP1.32
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-ethylamino]-N-ethylacetamide with MolForge

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Related Compounds

2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 30988005
N-ethyl-2-[ethyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide
CID 9433381
N-[4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 46438037
N-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide
CID 9433175
4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one
CID 120564268
methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
CID 47014080
1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 30007560
2-(4-chlorophenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638356
2-(diethylamino)-1-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]piperazin-1-yl]ethanone
CID 99792270
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 9260123
3-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylbutan-1-one
CID 120502550
N-[1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 86977373

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-ethylamino]-N-ethylacetamide (CID 8683207) is 2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)CC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The InChIKey is UWOMZJPARJABIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN4O3/c1-3-22-19(26)15-23(4-2)16-20(27)25-11-9-24(10-12-25)13-14-28-18-7-5-17(21)6-8-18/h5-8H,3-4,9-16H2,1-2H3,(H,22,26).
What are the key properties of 2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-ethylamino]-N-ethylacetamide?
2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-ethylamino]-N-ethylacetamide has a molecular weight of 410.95 g/mol, XLogP of 1.32, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 8683207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).