3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione

C27H34N4O2 — CID 177197826

IUPAC3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione
SMILESNc1ccc(N2CCC(N3CCC(c4ccc(C5CCC(=O)NC5=O)cc4)CC3)CC2)cc1
InChIInChI=1S/C27H34N4O2/c28-22-5-7-23(8-6-22)31-17-13-24(14-18-31)30-15-11-20(12-16-30)19-1-3-21(4-2-19)25-9-10-26(32)29-27(25)33/h1-8,20,24-25H,9-18,28H2,(H,29,32,33)
InChIKeyDLIBYKUNQWFROE-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.64
Rot. Bonds4

About 3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione

3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione (PubChem CID 177197826) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione
PubChem CID177197826
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione
SMILESNc1ccc(N2CCC(N3CCC(c4ccc(C5CCC(=O)NC5=O)cc4)CC3)CC2)cc1
InChIInChI=1S/C27H34N4O2/c28-22-5-7-23(8-6-22)31-17-13-24(14-18-31)30-15-11-20(12-16-30)19-1-3-21(4-2-19)25-9-10-26(32)29-27(25)33/h1-8,20,24-25H,9-18,28H2,(H,29,32,33)
InChIKeyDLIBYKUNQWFROE-UHFFFAOYSA-N
XLogP3.64
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenoxy]piperidine-2,6-dione
CID 177363602
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 170325363
(3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 171063396
[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid
CID 174225411
3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 168735277
3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 171406493
3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane
CID 177052728
3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione
CID 170954104
2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride
CID 171820884
3-[4-[1-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]phenyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 177002980
ethane;methanethiol;3-[4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione;4-(4-nitrophenyl)morpholine
CID 177318654

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione (CID 177197826) is 3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione is Nc1ccc(N2CCC(N3CCC(c4ccc(C5CCC(=O)NC5=O)cc4)CC3)CC2)cc1.
What is the InChIKey of 3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione?
The InChIKey is DLIBYKUNQWFROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c28-22-5-7-23(8-6-22)31-17-13-24(14-18-31)30-15-11-20(12-16-30)19-1-3-21(4-2-19)25-9-10-26(32)29-27(25)33/h1-8,20,24-25H,9-18,28H2,(H,29,32,33).
What are the key properties of 3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione?
3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione has a molecular weight of 446.60 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 177197826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).