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

C20H29N5O2 — CID 166113557

IUPAC3-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-4-pyridinyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccnc(N3CCN(CC4CCNCC4)CC3)c2)C(=O)N1
InChIInChI=1S/C20H29N5O2/c26-19-2-1-17(20(27)23-19)16-5-8-22-18(13-16)25-11-9-24(10-12-25)14-15-3-6-21-7-4-15/h5,8,13,15,17,21H,1-4,6-7,9-12,14H2,(H,23,26,27)
InChIKeyUAGIDJSQGCMOFN-UHFFFAOYSA-N
MW371.49 g/mol
LogP0.72
Rot. Bonds4

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

3-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-4-pyridinyl]piperidine-2,6-dione (PubChem CID 166113557) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 3-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-4-pyridinyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-4-pyridinyl]piperidine-2,6-dione
PubChem CID166113557
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name3-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-4-pyridinyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccnc(N3CCN(CC4CCNCC4)CC3)c2)C(=O)N1
InChIInChI=1S/C20H29N5O2/c26-19-2-1-17(20(27)23-19)16-5-8-22-18(13-16)25-11-9-24(10-12-25)14-15-3-6-21-7-4-15/h5,8,13,15,17,21H,1-4,6-7,9-12,14H2,(H,23,26,27)
InChIKeyUAGIDJSQGCMOFN-UHFFFAOYSA-N
XLogP0.72
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 50.72
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 3-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-4-pyridinyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-4-pyridinyl]piperidine-2,6-dione (CID 166113557) is 3-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-4-pyridinyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-4-pyridinyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-4-pyridinyl]piperidine-2,6-dione is O=C1CCC(c2ccnc(N3CCN(CC4CCNCC4)CC3)c2)C(=O)N1.
What is the InChIKey of 3-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-4-pyridinyl]piperidine-2,6-dione?
The InChIKey is UAGIDJSQGCMOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c26-19-2-1-17(20(27)23-19)16-5-8-22-18(13-16)25-11-9-24(10-12-25)14-15-3-6-21-7-4-15/h5,8,13,15,17,21H,1-4,6-7,9-12,14H2,(H,23,26,27).
What are the key properties of 3-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-4-pyridinyl]piperidine-2,6-dione?
3-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-4-pyridinyl]piperidine-2,6-dione has a molecular weight of 371.49 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-4-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 166113557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).