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

C18H23N3O3 — CID 162725566

IUPAC3-[4-[1-(1-aminoethenyl)piperidin-4-yl]phenoxy]piperidine-2,6-dione
SMILESC=C(N)N1CCC(c2ccc(OC3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C18H23N3O3/c1-12(19)21-10-8-14(9-11-21)13-2-4-15(5-3-13)24-16-6-7-17(22)20-18(16)23/h2-5,14,16H,1,6-11,19H2,(H,20,22,23)
InChIKeyNJBIZFAZBBCIPF-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.48
Rot. Bonds4

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

3-[4-[1-(1-aminoethenyl)piperidin-4-yl]phenoxy]piperidine-2,6-dione (PubChem CID 162725566) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[4-[1-(1-aminoethenyl)piperidin-4-yl]phenoxy]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[1-(1-aminoethenyl)piperidin-4-yl]phenoxy]piperidine-2,6-dione
PubChem CID162725566
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[4-[1-(1-aminoethenyl)piperidin-4-yl]phenoxy]piperidine-2,6-dione
SMILESC=C(N)N1CCC(c2ccc(OC3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C18H23N3O3/c1-12(19)21-10-8-14(9-11-21)13-2-4-15(5-3-13)24-16-6-7-17(22)20-18(16)23/h2-5,14,16H,1,6-11,19H2,(H,20,22,23)
InChIKeyNJBIZFAZBBCIPF-UHFFFAOYSA-N
XLogP1.48
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid
CID 159240821
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-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenoxy]piperidine-2,6-dione
CID 177363602
3-(4-piperidin-3-ylphenoxy)piperidine-2,6-dione
CID 166472314
4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid
CID 156506164
3-[4-[1-[[1-(4-nitrophenyl)piperidin-4-yl]methyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione
CID 177363541
3-[4-(dimethylamino)phenoxy]piperidine-2,6-dione
CID 155261508
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-(3-methoxypropoxy)phenoxy]piperidine-2,6-dione
CID 167027389
3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenoxy]piperidine-2,6-dione
CID 172616793
3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione
CID 177362134
O-tert-butyl 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carbothioate
CID 177363967

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(1-aminoethenyl)piperidin-4-yl]phenoxy]piperidine-2,6-dione?
The IUPAC name of 3-[4-[1-(1-aminoethenyl)piperidin-4-yl]phenoxy]piperidine-2,6-dione (CID 162725566) is 3-[4-[1-(1-aminoethenyl)piperidin-4-yl]phenoxy]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[1-(1-aminoethenyl)piperidin-4-yl]phenoxy]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[1-(1-aminoethenyl)piperidin-4-yl]phenoxy]piperidine-2,6-dione is C=C(N)N1CCC(c2ccc(OC3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of 3-[4-[1-(1-aminoethenyl)piperidin-4-yl]phenoxy]piperidine-2,6-dione?
The InChIKey is NJBIZFAZBBCIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(19)21-10-8-14(9-11-21)13-2-4-15(5-3-13)24-16-6-7-17(22)20-18(16)23/h2-5,14,16H,1,6-11,19H2,(H,20,22,23).
What are the key properties of 3-[4-[1-(1-aminoethenyl)piperidin-4-yl]phenoxy]piperidine-2,6-dione?
3-[4-[1-(1-aminoethenyl)piperidin-4-yl]phenoxy]piperidine-2,6-dione has a molecular weight of 329.40 g/mol, XLogP of 1.48, 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-aminoethenyl)piperidin-4-yl]phenoxy]piperidine-2,6-dione is sourced from PubChem (CID 162725566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).