1-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]-1,3-diazinane-2,4-dione

C16H20N4O4 — CID 167478438

IUPAC1-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(OCC(=O)N3CCNCC3)cc2)C(=O)N1
InChIInChI=1S/C16H20N4O4/c21-14-5-8-20(16(23)18-14)12-1-3-13(4-2-12)24-11-15(22)19-9-6-17-7-10-19/h1-4,17H,5-11H2,(H,18,21,23)
InChIKeyCZDXJUPEYVDMFW-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.06
Rot. Bonds4

About 1-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]-1,3-diazinane-2,4-dione

1-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]-1,3-diazinane-2,4-dione (PubChem CID 167478438) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]-1,3-diazinane-2,4-dione
PubChem CID167478438
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name1-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(OCC(=O)N3CCNCC3)cc2)C(=O)N1
InChIInChI=1S/C16H20N4O4/c21-14-5-8-20(16(23)18-14)12-1-3-13(4-2-12)24-11-15(22)19-9-6-17-7-10-19/h1-4,17H,5-11H2,(H,18,21,23)
InChIKeyCZDXJUPEYVDMFW-UHFFFAOYSA-N
XLogP-0.06
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid
CID 82147640
1-piperazin-1-yl-2-[4-(triazol-1-yl)phenoxy]ethanone
CID 67980822
1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone
CID 28916794
2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone
CID 167771023
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione
CID 166947284
1-(1,4-diazepan-1-yl)-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119417235
2-(4-benzoylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119415956
4-[[1-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylic acid
CID 175325032
2-[4-(2-oxoimidazolidin-1-yl)phenoxy]acetic acid
CID 63771692
2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone
CID 81268372
2-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]chromen-4-one
CID 118323806

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]-1,3-diazinane-2,4-dione (CID 167478438) is 1-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]-1,3-diazinane-2,4-dione is O=C1CCN(c2ccc(OCC(=O)N3CCNCC3)cc2)C(=O)N1.
What is the InChIKey of 1-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is CZDXJUPEYVDMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c21-14-5-8-20(16(23)18-14)12-1-3-13(4-2-12)24-11-15(22)19-9-6-17-7-10-19/h1-4,17H,5-11H2,(H,18,21,23).
What are the key properties of 1-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]-1,3-diazinane-2,4-dione?
1-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 332.36 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167478438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).