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

C17H21N3O4 — CID 168882542

IUPAC1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2ccc(C3CCC(=O)NC3=O)cn2)CC1
InChIInChI=1S/C17H21N3O4/c1-17(16(23)24)6-8-20(9-7-17)13-4-2-11(10-18-13)12-3-5-14(21)19-15(12)22/h2,4,10,12H,3,5-9H2,1H3,(H,23,24)(H,19,21,22)
InChIKeyVKHFHDKXYGUODX-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.29
Rot. Bonds3

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

1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 168882542) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID168882542
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2ccc(C3CCC(=O)NC3=O)cn2)CC1
InChIInChI=1S/C17H21N3O4/c1-17(16(23)24)6-8-20(9-7-17)13-4-2-11(10-18-13)12-3-5-14(21)19-15(12)22/h2,4,10,12H,3,5-9H2,1H3,(H,23,24)(H,19,21,22)
InChIKeyVKHFHDKXYGUODX-UHFFFAOYSA-N
XLogP1.29
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.29
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 1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid (CID 168882542) is 1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(c2ccc(C3CCC(=O)NC3=O)cn2)CC1.
What is the InChIKey of 1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is VKHFHDKXYGUODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-17(16(23)24)6-8-20(9-7-17)13-4-2-11(10-18-13)12-3-5-14(21)19-15(12)22/h2,4,10,12H,3,5-9H2,1H3,(H,23,24)(H,19,21,22).
What are the key properties of 1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid?
1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 168882542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).