7-[3-(piperidine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

C18H22N4O3 — CID 70748783

IUPAC7-[3-(piperidine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCN(c3ncccc3C(=O)N3CCCCC3)C2)C(=O)N1
InChIInChI=1S/C18H22N4O3/c23-14-11-18(17(25)20-14)6-10-22(12-18)15-13(5-4-7-19-15)16(24)21-8-2-1-3-9-21/h4-5,7H,1-3,6,8-12H2,(H,20,23,25)
InChIKeyIEPKKWJXZNHIKQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.95
Rot. Bonds2

About 7-[3-(piperidine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

7-[3-(piperidine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (PubChem CID 70748783) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 7-[3-(piperidine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name7-[3-(piperidine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
PubChem CID70748783
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name7-[3-(piperidine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCN(c3ncccc3C(=O)N3CCCCC3)C2)C(=O)N1
InChIInChI=1S/C18H22N4O3/c23-14-11-18(17(25)20-14)6-10-22(12-18)15-13(5-4-7-19-15)16(24)21-8-2-1-3-9-21/h4-5,7H,1-3,6,8-12H2,(H,20,23,25)
InChIKeyIEPKKWJXZNHIKQ-UHFFFAOYSA-N
XLogP0.95
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
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 7-[3-(piperidine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 7-[3-(piperidine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (CID 70748783) is 7-[3-(piperidine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 7-[3-(piperidine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 7-[3-(piperidine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCN(c3ncccc3C(=O)N3CCCCC3)C2)C(=O)N1.
What is the InChIKey of 7-[3-(piperidine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The InChIKey is IEPKKWJXZNHIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-14-11-18(17(25)20-14)6-10-22(12-18)15-13(5-4-7-19-15)16(24)21-8-2-1-3-9-21/h4-5,7H,1-3,6,8-12H2,(H,20,23,25).
What are the key properties of 7-[3-(piperidine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
7-[3-(piperidine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-1,3-dione has a molecular weight of 342.40 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(piperidine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 70748783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).