1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione

C26H33N3O3 — CID 10622766

IUPAC1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3C(=O)CCCC3=O)c2)CC1
InChIInChI=1S/C26H33N3O3/c1-20(2)32-24-10-4-3-9-23(24)28-15-13-27(14-16-28)18-21-7-5-8-22(17-21)19-29-25(30)11-6-12-26(29)31/h3-5,7-10,17,20H,6,11-16,18-19H2,1-2H3
InChIKeyANXBMRVETYAEAT-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.84
Rot. Bonds7

About 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione

1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione (PubChem CID 10622766) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione
PubChem CID10622766
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3C(=O)CCCC3=O)c2)CC1
InChIInChI=1S/C26H33N3O3/c1-20(2)32-24-10-4-3-9-23(24)28-15-13-27(14-16-28)18-21-7-5-8-22(17-21)19-29-25(30)11-6-12-26(29)31/h3-5,7-10,17,20H,6,11-16,18-19H2,1-2H3
InChIKeyANXBMRVETYAEAT-UHFFFAOYSA-N
XLogP3.84
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione with MolForge

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Related Compounds

but-2-enedioic acid;1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione
CID 160762853
1-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]but-2-ynyl]piperidine-2,6-dione;hydrochloride
CID 11604156
but-2-enedioic acid;1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one
CID 70152371
5-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione
CID 10598329
1-[3-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-dione
CID 10047950
1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one
CID 10836245
(5-fluoro-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone
CID 58692272
1-[3-[4-(2-hydroxy-6-propan-2-yloxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-dione
CID 10249759
5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde
CID 102379277
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
2,6-dimethoxy-N-[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-6-yl]benzamide
CID 91207748
1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-2-one;1-[[(5S)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-2-one;1-[[(5R)-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-2-one
CID 158144954

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione?
The IUPAC name of 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione (CID 10622766) is 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione?
The canonical SMILES for 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione is CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3C(=O)CCCC3=O)c2)CC1.
What is the InChIKey of 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione?
The InChIKey is ANXBMRVETYAEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-20(2)32-24-10-4-3-9-23(24)28-15-13-27(14-16-28)18-21-7-5-8-22(17-21)19-29-25(30)11-6-12-26(29)31/h3-5,7-10,17,20H,6,11-16,18-19H2,1-2H3.
What are the key properties of 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione?
1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione has a molecular weight of 435.57 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione is sourced from PubChem (CID 10622766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).