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

C27H34N4O3 — CID 177363602

IUPAC3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenoxy]piperidine-2,6-dione
SMILESNc1ccc(N2CCC(N3CCC(c4ccc(OC5CCC(=O)NC5=O)cc4)CC3)CC2)cc1
InChIInChI=1S/C27H34N4O3/c28-21-3-5-22(6-4-21)31-17-13-23(14-18-31)30-15-11-20(12-16-30)19-1-7-24(8-2-19)34-25-9-10-26(32)29-27(25)33/h1-8,20,23,25H,9-18,28H2,(H,29,32,33)
InChIKeyWYUGNKOJGMEOTH-UHFFFAOYSA-N
MW462.59 g/mol
LogP3.30
Rot. Bonds5

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

3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenoxy]piperidine-2,6-dione (PubChem CID 177363602) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenoxy]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenoxy]piperidine-2,6-dione
PubChem CID177363602
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenoxy]piperidine-2,6-dione
SMILESNc1ccc(N2CCC(N3CCC(c4ccc(OC5CCC(=O)NC5=O)cc4)CC3)CC2)cc1
InChIInChI=1S/C27H34N4O3/c28-21-3-5-22(6-4-21)31-17-13-23(14-18-31)30-15-11-20(12-16-30)19-1-7-24(8-2-19)34-25-9-10-26(32)29-27(25)33/h1-8,20,23,25H,9-18,28H2,(H,29,32,33)
InChIKeyWYUGNKOJGMEOTH-UHFFFAOYSA-N
XLogP3.30
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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]phenyl]piperidine-2,6-dione
CID 177197826
3-[4-[1-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]phenyl]piperidin-4-yl]piperidin-4-yl]phenoxy]piperidine-2,6-dione
CID 171038136
3-[4-[1-[[1-(4-nitrophenyl)piperidin-4-yl]methyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione
CID 177363541
3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione
CID 177362134
3-[4-[1-(1-aminoethenyl)piperidin-4-yl]phenoxy]piperidine-2,6-dione
CID 162725566
3-[[5-[1-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]phenyl]piperidin-4-yl]piperidin-4-yl]-2-pyridinyl]oxy]piperidine-2,6-dione
CID 177002944
4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid
CID 156506164
3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenoxy]piperidine-2,6-dione
CID 172616793
4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid
CID 159240821
3-(4-piperidin-3-ylphenoxy)piperidine-2,6-dione
CID 166472314
4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanamide;2,2,2-trifluoroacetic acid
CID 175284130
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenoxy]piperidine-2,6-dione?
The IUPAC name of 3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenoxy]piperidine-2,6-dione (CID 177363602) is 3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenoxy]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenoxy]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenoxy]piperidine-2,6-dione is Nc1ccc(N2CCC(N3CCC(c4ccc(OC5CCC(=O)NC5=O)cc4)CC3)CC2)cc1.
What is the InChIKey of 3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenoxy]piperidine-2,6-dione?
The InChIKey is WYUGNKOJGMEOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c28-21-3-5-22(6-4-21)31-17-13-23(14-18-31)30-15-11-20(12-16-30)19-1-7-24(8-2-19)34-25-9-10-26(32)29-27(25)33/h1-8,20,23,25H,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]phenoxy]piperidine-2,6-dione?
3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenoxy]piperidine-2,6-dione has a molecular weight of 462.59 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenoxy]piperidine-2,6-dione is sourced from PubChem (CID 177363602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).