(3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione

C25H29N3O4 — CID 160897263

IUPAC(3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
SMILESCN1CCN(CCCOc2ccc3c(ccc4occ([C@H]5CCC(=O)NC5=O)c43)c2)CC1
InChIInChI=1S/C25H29N3O4/c1-27-10-12-28(13-11-27)9-2-14-31-18-4-5-19-17(15-18)3-7-22-24(19)21(16-32-22)20-6-8-23(29)26-25(20)30/h3-5,7,15-16,20H,2,6,8-14H2,1H3,(H,26,29,30)/t20-/m1/s1
InChIKeyLPFWZEKOMOOJKU-HXUWFJFHSA-N
MW435.52 g/mol
LogP3.12
Rot. Bonds6

About (3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione

(3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione (PubChem CID 160897263) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is (3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
PubChem CID160897263
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name(3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
SMILESCN1CCN(CCCOc2ccc3c(ccc4occ([C@H]5CCC(=O)NC5=O)c43)c2)CC1
InChIInChI=1S/C25H29N3O4/c1-27-10-12-28(13-11-27)9-2-14-31-18-4-5-19-17(15-18)3-7-22-24(19)21(16-32-22)20-6-8-23(29)26-25(20)30/h3-5,7,15-16,20H,2,6,8-14H2,1H3,(H,26,29,30)/t20-/m1/s1
InChIKeyLPFWZEKOMOOJKU-HXUWFJFHSA-N
XLogP3.12
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-[7-(3-pyrrolidin-1-ylpropoxy)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione
CID 157406757
3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 147267812
(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
CID 158167056
tert-butyl 4-[2-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-yl]oxyethylamino]piperidine-1-carboxylate
CID 160599860
(4R)-4-[7-[3-(1-methylpiperidin-4-yl)propoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione
CID 161116324
3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 147536967
(3S)-3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 158099478
3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 172538516
(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
CID 167000970
(8R)-3-[7-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]bicyclo[6.1.0]nonane-2,6-dione
CID 166645490
3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 166645438
3-[7-(2-piperazin-1-ylethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
CID 166648831

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione?
The IUPAC name of (3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione (CID 160897263) is (3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione?
The canonical SMILES for (3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione is CN1CCN(CCCOc2ccc3c(ccc4occ([C@H]5CCC(=O)NC5=O)c43)c2)CC1.
What is the InChIKey of (3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione?
The InChIKey is LPFWZEKOMOOJKU-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-27-10-12-28(13-11-27)9-2-14-31-18-4-5-19-17(15-18)3-7-22-24(19)21(16-32-22)20-6-8-23(29)26-25(20)30/h3-5,7,15-16,20H,2,6,8-14H2,1H3,(H,26,29,30)/t20-/m1/s1.
What are the key properties of (3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione?
(3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione has a molecular weight of 435.52 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 160897263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).