3-[2-[2-(piperidin-4-ylmethylamino)ethylamino]-4-pyridinyl]piperidine-2,6-dione

C18H27N5O2 — CID 167190606

IUPAC3-[2-[2-(piperidin-4-ylmethylamino)ethylamino]-4-pyridinyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccnc(NCCNCC3CCNCC3)c2)C(=O)N1
InChIInChI=1S/C18H27N5O2/c24-17-2-1-15(18(25)23-17)14-5-8-21-16(11-14)22-10-9-20-12-13-3-6-19-7-4-13/h5,8,11,13,15,19-20H,1-4,6-7,9-10,12H2,(H,21,22)(H,23,24,25)
InChIKeyXXWUGKGBYSJCAF-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.60
Rot. Bonds7

About 3-[2-[2-(piperidin-4-ylmethylamino)ethylamino]-4-pyridinyl]piperidine-2,6-dione

3-[2-[2-(piperidin-4-ylmethylamino)ethylamino]-4-pyridinyl]piperidine-2,6-dione (PubChem CID 167190606) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-[2-[2-(piperidin-4-ylmethylamino)ethylamino]-4-pyridinyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-[2-(piperidin-4-ylmethylamino)ethylamino]-4-pyridinyl]piperidine-2,6-dione
PubChem CID167190606
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name3-[2-[2-(piperidin-4-ylmethylamino)ethylamino]-4-pyridinyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccnc(NCCNCC3CCNCC3)c2)C(=O)N1
InChIInChI=1S/C18H27N5O2/c24-17-2-1-15(18(25)23-17)14-5-8-21-16(11-14)22-10-9-20-12-13-3-6-19-7-4-13/h5,8,11,13,15,19-20H,1-4,6-7,9-10,12H2,(H,21,22)(H,23,24,25)
InChIKeyXXWUGKGBYSJCAF-UHFFFAOYSA-N
XLogP0.60
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(piperidin-4-ylmethylamino)ethylamino]-4-pyridinyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-[2-(piperidin-4-ylmethylamino)ethylamino]-4-pyridinyl]piperidine-2,6-dione (CID 167190606) is 3-[2-[2-(piperidin-4-ylmethylamino)ethylamino]-4-pyridinyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-[2-(piperidin-4-ylmethylamino)ethylamino]-4-pyridinyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-[2-(piperidin-4-ylmethylamino)ethylamino]-4-pyridinyl]piperidine-2,6-dione is O=C1CCC(c2ccnc(NCCNCC3CCNCC3)c2)C(=O)N1.
What is the InChIKey of 3-[2-[2-(piperidin-4-ylmethylamino)ethylamino]-4-pyridinyl]piperidine-2,6-dione?
The InChIKey is XXWUGKGBYSJCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-17-2-1-15(18(25)23-17)14-5-8-21-16(11-14)22-10-9-20-12-13-3-6-19-7-4-13/h5,8,11,13,15,19-20H,1-4,6-7,9-10,12H2,(H,21,22)(H,23,24,25).
What are the key properties of 3-[2-[2-(piperidin-4-ylmethylamino)ethylamino]-4-pyridinyl]piperidine-2,6-dione?
3-[2-[2-(piperidin-4-ylmethylamino)ethylamino]-4-pyridinyl]piperidine-2,6-dione has a molecular weight of 345.45 g/mol, XLogP of 0.60, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(piperidin-4-ylmethylamino)ethylamino]-4-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 167190606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).