1,4-diazaspiro[5.5]undecan-1-yl-(5-ethylfuran-2-yl)methanone

C16H24N2O2 — CID 79094761

IUPAC1,4-diazaspiro[5.5]undecan-1-yl-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CCNCC23CCCCC3)o1
InChIInChI=1S/C16H24N2O2/c1-2-13-6-7-14(20-13)15(19)18-11-10-17-12-16(18)8-4-3-5-9-16/h6-7,17H,2-5,8-12H2,1H3
InChIKeyOZHMUUYEVBJNOB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.59
Rot. Bonds2

About 1,4-diazaspiro[5.5]undecan-1-yl-(5-ethylfuran-2-yl)methanone

1,4-diazaspiro[5.5]undecan-1-yl-(5-ethylfuran-2-yl)methanone (PubChem CID 79094761) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1,4-diazaspiro[5.5]undecan-1-yl-(5-ethylfuran-2-yl)methanone.

Molecular Properties

Compound Name1,4-diazaspiro[5.5]undecan-1-yl-(5-ethylfuran-2-yl)methanone
PubChem CID79094761
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1,4-diazaspiro[5.5]undecan-1-yl-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CCNCC23CCCCC3)o1
InChIInChI=1S/C16H24N2O2/c1-2-13-6-7-14(20-13)15(19)18-11-10-17-12-16(18)8-4-3-5-9-16/h6-7,17H,2-5,8-12H2,1H3
InChIKeyOZHMUUYEVBJNOB-UHFFFAOYSA-N
XLogP2.59
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-diazaspiro[5.5]undecan-2-yl-(5-ethylfuran-2-yl)methanone
CID 102849550
5-ethyl-N-(3-methylpyrrolidin-3-yl)furan-2-carboxamide
CID 107422841
1,4-diazaspiro[5.5]undecan-1-yl-(5-methylfuran-3-yl)methanone
CID 114822000
(5-bromofuran-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65462950
4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66073806
5-ethyl-N-[(3-methylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 113400454
4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid
CID 63125392
(5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028614
1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 107015923
1,4-diazaspiro[5.5]undecan-1-yl-(3,6-dimethylpyridazin-4-yl)methanone
CID 104671543
1-(5-ethylfuran-2-carbonyl)piperidin-4-one
CID 79095458
(2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone
CID 107176518

Frequently Asked Questions

What is the IUPAC name of 1,4-diazaspiro[5.5]undecan-1-yl-(5-ethylfuran-2-yl)methanone?
The IUPAC name of 1,4-diazaspiro[5.5]undecan-1-yl-(5-ethylfuran-2-yl)methanone (CID 79094761) is 1,4-diazaspiro[5.5]undecan-1-yl-(5-ethylfuran-2-yl)methanone.
What is the SMILES notation for 1,4-diazaspiro[5.5]undecan-1-yl-(5-ethylfuran-2-yl)methanone?
The canonical SMILES for 1,4-diazaspiro[5.5]undecan-1-yl-(5-ethylfuran-2-yl)methanone is CCc1ccc(C(=O)N2CCNCC23CCCCC3)o1.
What is the InChIKey of 1,4-diazaspiro[5.5]undecan-1-yl-(5-ethylfuran-2-yl)methanone?
The InChIKey is OZHMUUYEVBJNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-13-6-7-14(20-13)15(19)18-11-10-17-12-16(18)8-4-3-5-9-16/h6-7,17H,2-5,8-12H2,1H3.
What are the key properties of 1,4-diazaspiro[5.5]undecan-1-yl-(5-ethylfuran-2-yl)methanone?
1,4-diazaspiro[5.5]undecan-1-yl-(5-ethylfuran-2-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 2.59, 2 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-ethylfuran-2-yl)methanone is sourced from PubChem (CID 79094761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).