1-[4-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one

C23H33N3O4 — CID 55564625

IUPAC1-[4-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)cc1
InChIInChI=1S/C23H33N3O4/c1-3-21(27)19-7-9-20(10-8-19)30-17-23(29)25-14-12-24(13-15-25)16-22(28)26-11-5-4-6-18(26)2/h7-10,18H,3-6,11-17H2,1-2H3
InChIKeyLKMZGFDPDQMUAU-UHFFFAOYSA-N
MW415.53 g/mol
LogP2.20
Rot. Bonds7

About 1-[4-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one

1-[4-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one (PubChem CID 55564625) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is 1-[4-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one
PubChem CID55564625
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name1-[4-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)cc1
InChIInChI=1S/C23H33N3O4/c1-3-21(27)19-7-9-20(10-8-19)30-17-23(29)25-14-12-24(13-15-25)16-22(28)26-11-5-4-6-18(26)2/h7-10,18H,3-6,11-17H2,1-2H3
InChIKeyLKMZGFDPDQMUAU-UHFFFAOYSA-N
XLogP2.20
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one with MolForge

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Related Compounds

1-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 55372379
1-[4-[2-oxo-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 17234094
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 78760343
1-[4-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 134061611
2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
1-[4-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 46422165
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678609
1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 110366791
2-[(1S,2R)-2-hydroxycyclohexyl]-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 124881787
1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110359047
4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide
CID 94172220
N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide
CID 51214187

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one (CID 55564625) is 1-[4-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCC(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)cc1.
What is the InChIKey of 1-[4-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one?
The InChIKey is LKMZGFDPDQMUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-3-21(27)19-7-9-20(10-8-19)30-17-23(29)25-14-12-24(13-15-25)16-22(28)26-11-5-4-6-18(26)2/h7-10,18H,3-6,11-17H2,1-2H3.
What are the key properties of 1-[4-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one?
1-[4-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one has a molecular weight of 415.53 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one is sourced from PubChem (CID 55564625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).