1,4-diazaspiro[5.5]undecan-1-yl-(5-methylfuran-3-yl)methanone

C15H22N2O2 — CID 114822000

IUPAC1,4-diazaspiro[5.5]undecan-1-yl-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCNCC23CCCCC3)co1
InChIInChI=1S/C15H22N2O2/c1-12-9-13(10-19-12)14(18)17-8-7-16-11-15(17)5-3-2-4-6-15/h9-10,16H,2-8,11H2,1H3
InChIKeyVAAPXYZXUDSGIC-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.34
Rot. Bonds1

About 1,4-diazaspiro[5.5]undecan-1-yl-(5-methylfuran-3-yl)methanone

1,4-diazaspiro[5.5]undecan-1-yl-(5-methylfuran-3-yl)methanone (PubChem CID 114822000) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1,4-diazaspiro[5.5]undecan-1-yl-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name1,4-diazaspiro[5.5]undecan-1-yl-(5-methylfuran-3-yl)methanone
PubChem CID114822000
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1,4-diazaspiro[5.5]undecan-1-yl-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCNCC23CCCCC3)co1
InChIInChI=1S/C15H22N2O2/c1-12-9-13(10-19-12)14(18)17-8-7-16-11-15(17)5-3-2-4-6-15/h9-10,16H,2-8,11H2,1H3
InChIKeyVAAPXYZXUDSGIC-UHFFFAOYSA-N
XLogP2.34
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazaspiro[5.5]undecan-1-yl-(5-methylfuran-3-yl)methanone?
The IUPAC name of 1,4-diazaspiro[5.5]undecan-1-yl-(5-methylfuran-3-yl)methanone (CID 114822000) is 1,4-diazaspiro[5.5]undecan-1-yl-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for 1,4-diazaspiro[5.5]undecan-1-yl-(5-methylfuran-3-yl)methanone?
The canonical SMILES for 1,4-diazaspiro[5.5]undecan-1-yl-(5-methylfuran-3-yl)methanone is Cc1cc(C(=O)N2CCNCC23CCCCC3)co1.
What is the InChIKey of 1,4-diazaspiro[5.5]undecan-1-yl-(5-methylfuran-3-yl)methanone?
The InChIKey is VAAPXYZXUDSGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-9-13(10-19-12)14(18)17-8-7-16-11-15(17)5-3-2-4-6-15/h9-10,16H,2-8,11H2,1H3.
What are the key properties of 1,4-diazaspiro[5.5]undecan-1-yl-(5-methylfuran-3-yl)methanone?
1,4-diazaspiro[5.5]undecan-1-yl-(5-methylfuran-3-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazaspiro[5.5]undecan-1-yl-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 114822000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).