3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione

C17H23N3O3 — CID 166112962

IUPAC3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(N3CCC(CCO)CC3)nc2)C(=O)N1
InChIInChI=1S/C17H23N3O3/c21-10-7-12-5-8-20(9-6-12)15-3-1-13(11-18-15)14-2-4-16(22)19-17(14)23/h1,3,11-12,14,21H,2,4-10H2,(H,19,22,23)
InChIKeyBHVLUEUBOLYXCP-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.20
Rot. Bonds4

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

3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (PubChem CID 166112962) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
PubChem CID166112962
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(N3CCC(CCO)CC3)nc2)C(=O)N1
InChIInChI=1S/C17H23N3O3/c21-10-7-12-5-8-20(9-6-12)15-3-1-13(11-18-15)14-2-4-16(22)19-17(14)23/h1,3,11-12,14,21H,2,4-10H2,(H,19,22,23)
InChIKeyBHVLUEUBOLYXCP-UHFFFAOYSA-N
XLogP1.20
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.20
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 3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (CID 166112962) is 3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is O=C1CCC(c2ccc(N3CCC(CCO)CC3)nc2)C(=O)N1.
What is the InChIKey of 3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The InChIKey is BHVLUEUBOLYXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-10-7-12-5-8-20(9-6-12)15-3-1-13(11-18-15)14-2-4-16(22)19-17(14)23/h1,3,11-12,14,21H,2,4-10H2,(H,19,22,23).
What are the key properties of 3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione has a molecular weight of 317.39 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 166112962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).