4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid

C20H26N2O5 — CID 159240821

IUPAC4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCC(c2ccc(OC3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C20H26N2O5/c23-18-8-7-17(20(26)21-18)27-16-5-3-14(4-6-16)15-9-12-22(13-10-15)11-1-2-19(24)25/h3-6,15,17H,1-2,7-13H2,(H,24,25)(H,21,23,26)
InChIKeyKUBMFLKTKGDYLZ-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.91
Rot. Bonds7

About 4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid

4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid (PubChem CID 159240821) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid
PubChem CID159240821
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCC(c2ccc(OC3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C20H26N2O5/c23-18-8-7-17(20(26)21-18)27-16-5-3-14(4-6-16)15-9-12-22(13-10-15)11-1-2-19(24)25/h3-6,15,17H,1-2,7-13H2,(H,24,25)(H,21,23,26)
InChIKeyKUBMFLKTKGDYLZ-UHFFFAOYSA-N
XLogP1.91
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid?
The IUPAC name of 4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid (CID 159240821) is 4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid is O=C(O)CCCN1CCC(c2ccc(OC3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of 4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid?
The InChIKey is KUBMFLKTKGDYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c23-18-8-7-17(20(26)21-18)27-16-5-3-14(4-6-16)15-9-12-22(13-10-15)11-1-2-19(24)25/h3-6,15,17H,1-2,7-13H2,(H,24,25)(H,21,23,26).
What are the key properties of 4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid?
4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid has a molecular weight of 374.44 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid is sourced from PubChem (CID 159240821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).