3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione

C18H24N4O3 — CID 177362134

IUPAC3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione
SMILESO=C1CCC(Oc2ccc(N3CC(N4CCNCC4)C3)cc2)C(=O)N1
InChIInChI=1S/C18H24N4O3/c23-17-6-5-16(18(24)20-17)25-15-3-1-13(2-4-15)22-11-14(12-22)21-9-7-19-8-10-21/h1-4,14,16,19H,5-12H2,(H,20,23,24)
InChIKeyQQWXYVVNAYVROF-UHFFFAOYSA-N
MW344.42 g/mol
LogP-0.04
Rot. Bonds4

About 3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione

3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione (PubChem CID 177362134) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione
PubChem CID177362134
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione
SMILESO=C1CCC(Oc2ccc(N3CC(N4CCNCC4)C3)cc2)C(=O)N1
InChIInChI=1S/C18H24N4O3/c23-17-6-5-16(18(24)20-17)25-15-3-1-13(2-4-15)22-11-14(12-22)21-9-7-19-8-10-21/h1-4,14,16,19H,5-12H2,(H,20,23,24)
InChIKeyQQWXYVVNAYVROF-UHFFFAOYSA-N
XLogP-0.04
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid
CID 156506164
3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenoxy]piperidine-2,6-dione
CID 177363602
3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenoxy]piperidine-2,6-dione
CID 172616793
ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione
CID 177363109
2-(2,6-dioxopiperidin-3-yl)-5-(3-piperazin-1-ylazetidin-1-yl)isoindole-1,3-dione;ethane
CID 156709609
3-(4-piperidin-3-ylphenoxy)piperidine-2,6-dione
CID 166472314
3-[4-(dimethylamino)phenoxy]piperidine-2,6-dione
CID 155261508
1-[1-(4-nitrophenyl)azetidin-3-yl]piperazine
CID 66195237
3-[4-(3-methoxypropoxy)phenoxy]piperidine-2,6-dione
CID 167027389
3-[4-[1-[[1-(4-nitrophenyl)piperidin-4-yl]methyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione
CID 177363541
3-[4-[1-(1-aminoethenyl)piperidin-4-yl]phenoxy]piperidine-2,6-dione
CID 162725566
1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione
CID 177363474

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione?
The IUPAC name of 3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione (CID 177362134) is 3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione is O=C1CCC(Oc2ccc(N3CC(N4CCNCC4)C3)cc2)C(=O)N1.
What is the InChIKey of 3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione?
The InChIKey is QQWXYVVNAYVROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-17-6-5-16(18(24)20-17)25-15-3-1-13(2-4-15)22-11-14(12-22)21-9-7-19-8-10-21/h1-4,14,16,19H,5-12H2,(H,20,23,24).
What are the key properties of 3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione?
3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione has a molecular weight of 344.42 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione is sourced from PubChem (CID 177362134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).