ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione

C24H42N4O2 — CID 177363109

IUPACethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione
SMILESCC.CC.CC.O=C1CCC(c2cccc(N3CC(N4CCNCC4)C3)c2)C(=O)N1
InChIInChI=1S/C18H24N4O2.3C2H6/c23-17-5-4-16(18(24)20-17)13-2-1-3-14(10-13)22-11-15(12-22)21-8-6-19-7-9-21;3*1-2/h1-3,10,15-16,19H,4-9,11-12H2,(H,20,23,24);3*1-2H3
InChIKeyGJQGGPRWEUVIGW-UHFFFAOYSA-N
MW418.63 g/mol
LogP3.38
Rot. Bonds3

About ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione

ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione (PubChem CID 177363109) has the molecular formula C24H42N4O2 and a molecular weight of 418.63 g/mol. Its IUPAC name is ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione
PubChem CID177363109
Molecular FormulaC24H42N4O2
Molecular Weight418.63 g/mol
Exact Mass418.33
IUPAC Nameethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione
SMILESCC.CC.CC.O=C1CCC(c2cccc(N3CC(N4CCNCC4)C3)c2)C(=O)N1
InChIInChI=1S/C18H24N4O2.3C2H6/c23-17-5-4-16(18(24)20-17)13-2-1-3-14(10-13)22-11-15(12-22)21-8-6-19-7-9-21;3*1-2/h1-3,10,15-16,19H,4-9,11-12H2,(H,20,23,24);3*1-2H3
InChIKeyGJQGGPRWEUVIGW-UHFFFAOYSA-N
XLogP3.38
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.63
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione
CID 170979872
2-(2,6-dioxopiperidin-3-yl)-5-(3-piperazin-1-ylazetidin-1-yl)isoindole-1,3-dione;ethane
CID 156709609
3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione
CID 177362134
3-[3-[4-(3-hydroxypropyl)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 170325392
3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione
CID 177028079
3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione
CID 177052731
tert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 170979336
3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 177052114
3-[1-methyl-7-(3-piperazin-1-ylpiperidin-1-yl)indazol-3-yl]piperidine-2,6-dione
CID 170432476
molecular hydrogen;piperidin-4-amine;3-[3-[3-(piperidine-4-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]phenyl]piperidine-2,6-dione;sulfanol;hydrate
CID 177052955
CID 177052361
CID 177052361
3-(3-piperidin-4-yloxyphenyl)piperidine-2,6-dione
CID 170325193

Frequently Asked Questions

What is the IUPAC name of ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione?
The IUPAC name of ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione (CID 177363109) is ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione?
The canonical SMILES for ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione is CC.CC.CC.O=C1CCC(c2cccc(N3CC(N4CCNCC4)C3)c2)C(=O)N1.
What is the InChIKey of ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione?
The InChIKey is GJQGGPRWEUVIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.3C2H6/c23-17-5-4-16(18(24)20-17)13-2-1-3-14(10-13)22-11-15(12-22)21-8-6-19-7-9-21;3*1-2/h1-3,10,15-16,19H,4-9,11-12H2,(H,20,23,24);3*1-2H3.
What are the key properties of ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione?
ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione has a molecular weight of 418.63 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 177363109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).