3-[1,3-dioxo-4-(piperidin-4-ylmethylamino)inden-2-yl]piperidine-2,6-dione

C20H23N3O4 — CID 166982721

IUPAC3-[1,3-dioxo-4-(piperidin-4-ylmethylamino)inden-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(C2C(=O)c3cccc(NCC4CCNCC4)c3C2=O)C(=O)N1
InChIInChI=1S/C20H23N3O4/c24-15-5-4-13(20(27)23-15)17-18(25)12-2-1-3-14(16(12)19(17)26)22-10-11-6-8-21-9-7-11/h1-3,11,13,17,21-22H,4-10H2,(H,23,24,27)
InChIKeyIFGGMJTWOMHKIW-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.15
Rot. Bonds4

About 3-[1,3-dioxo-4-(piperidin-4-ylmethylamino)inden-2-yl]piperidine-2,6-dione

3-[1,3-dioxo-4-(piperidin-4-ylmethylamino)inden-2-yl]piperidine-2,6-dione (PubChem CID 166982721) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-[1,3-dioxo-4-(piperidin-4-ylmethylamino)inden-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1,3-dioxo-4-(piperidin-4-ylmethylamino)inden-2-yl]piperidine-2,6-dione
PubChem CID166982721
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name3-[1,3-dioxo-4-(piperidin-4-ylmethylamino)inden-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(C2C(=O)c3cccc(NCC4CCNCC4)c3C2=O)C(=O)N1
InChIInChI=1S/C20H23N3O4/c24-15-5-4-13(20(27)23-15)17-18(25)12-2-1-3-14(16(12)19(17)26)22-10-11-6-8-21-9-7-11/h1-3,11,13,17,21-22H,4-10H2,(H,23,24,27)
InChIKeyIFGGMJTWOMHKIW-UHFFFAOYSA-N
XLogP1.15
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1,3-dioxo-4-(piperidin-4-ylmethylamino)inden-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[1,3-dioxo-4-(piperidin-4-ylmethylamino)inden-2-yl]piperidine-2,6-dione (CID 166982721) is 3-[1,3-dioxo-4-(piperidin-4-ylmethylamino)inden-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1,3-dioxo-4-(piperidin-4-ylmethylamino)inden-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1,3-dioxo-4-(piperidin-4-ylmethylamino)inden-2-yl]piperidine-2,6-dione is O=C1CCC(C2C(=O)c3cccc(NCC4CCNCC4)c3C2=O)C(=O)N1.
What is the InChIKey of 3-[1,3-dioxo-4-(piperidin-4-ylmethylamino)inden-2-yl]piperidine-2,6-dione?
The InChIKey is IFGGMJTWOMHKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c24-15-5-4-13(20(27)23-15)17-18(25)12-2-1-3-14(16(12)19(17)26)22-10-11-6-8-21-9-7-11/h1-3,11,13,17,21-22H,4-10H2,(H,23,24,27).
What are the key properties of 3-[1,3-dioxo-4-(piperidin-4-ylmethylamino)inden-2-yl]piperidine-2,6-dione?
3-[1,3-dioxo-4-(piperidin-4-ylmethylamino)inden-2-yl]piperidine-2,6-dione has a molecular weight of 369.42 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,3-dioxo-4-(piperidin-4-ylmethylamino)inden-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166982721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).