1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid

C23H30N4O5 — CID 168882533

IUPAC1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C2CCN(c3ccc(C4CCC(=O)NC4=O)cn3)CC2)CC1
InChIInChI=1S/C23H30N4O5/c1-23(22(31)32)8-12-27(13-9-23)21(30)15-6-10-26(11-7-15)18-4-2-16(14-24-18)17-3-5-19(28)25-20(17)29/h2,4,14-15,17H,3,5-13H2,1H3,(H,31,32)(H,25,28,29)
InChIKeyUPQDNKORZNXRBM-UHFFFAOYSA-N
MW442.52 g/mol
LogP1.53
Rot. Bonds4

About 1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid

1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 168882533) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID168882533
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC Name1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C2CCN(c3ccc(C4CCC(=O)NC4=O)cn3)CC2)CC1
InChIInChI=1S/C23H30N4O5/c1-23(22(31)32)8-12-27(13-9-23)21(30)15-6-10-26(11-7-15)18-4-2-16(14-24-18)17-3-5-19(28)25-20(17)29/h2,4,14-15,17H,3,5-13H2,1H3,(H,31,32)(H,25,28,29)
InChIKeyUPQDNKORZNXRBM-UHFFFAOYSA-N
XLogP1.53
TPSA119.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid (CID 168882533) is 1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)C2CCN(c3ccc(C4CCC(=O)NC4=O)cn3)CC2)CC1.
What is the InChIKey of 1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is UPQDNKORZNXRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-23(22(31)32)8-12-27(13-9-23)21(30)15-6-10-26(11-7-15)18-4-2-16(14-24-18)17-3-5-19(28)25-20(17)29/h2,4,14-15,17H,3,5-13H2,1H3,(H,31,32)(H,25,28,29).
What are the key properties of 1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid?
1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 442.52 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 168882533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).