4-(8-oxa-2-azaspiro[4.5]decane-4-carbonyl)piperazin-2-one

C13H21N3O3 — CID 110876620

IUPAC4-(8-oxa-2-azaspiro[4.5]decane-4-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)C2CNCC23CCOCC3)CCN1
InChIInChI=1S/C13H21N3O3/c17-11-8-16(4-3-15-11)12(18)10-7-14-9-13(10)1-5-19-6-2-13/h10,14H,1-9H2,(H,15,17)
InChIKeyOFUFHGNBQQAGMB-UHFFFAOYSA-N
MW267.33 g/mol
LogP-1.04
Rot. Bonds1

About 4-(8-oxa-2-azaspiro[4.5]decane-4-carbonyl)piperazin-2-one

4-(8-oxa-2-azaspiro[4.5]decane-4-carbonyl)piperazin-2-one (PubChem CID 110876620) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(8-oxa-2-azaspiro[4.5]decane-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(8-oxa-2-azaspiro[4.5]decane-4-carbonyl)piperazin-2-one
PubChem CID110876620
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-(8-oxa-2-azaspiro[4.5]decane-4-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)C2CNCC23CCOCC3)CCN1
InChIInChI=1S/C13H21N3O3/c17-11-8-16(4-3-15-11)12(18)10-7-14-9-13(10)1-5-19-6-2-13/h10,14H,1-9H2,(H,15,17)
InChIKeyOFUFHGNBQQAGMB-UHFFFAOYSA-N
XLogP-1.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 87054524
N~2~-Isopentyl-4-(piperidinocarbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 87054528
N-isobutyl-4-(piperidinocarbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 87054530
N~4~-[2-(Dimethylamino)ethyl]-2-isopentyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924860
2-Propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 110876615
N-[2-(dimethylamino)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 110876616
2-N-ethyl-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 110876630
4-N,4-N-dimethyl-2-N-propyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 110876632
(5S)-7,7-difluoro-9-[2-(oxan-4-yl)acetyl]-2,9-diazaspiro[4.5]decan-1-one
CID 129540268
(5R)-7,7-difluoro-9-[2-(oxan-4-yl)acetyl]-2,9-diazaspiro[4.5]decan-1-one
CID 129540269
7,7-Difluoro-9-[2-(oxan-4-yl)acetyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131694465
N-[2-(Dimethylamino)ethyl]-2-propionyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924859

Frequently Asked Questions

What is the IUPAC name of 4-(8-oxa-2-azaspiro[4.5]decane-4-carbonyl)piperazin-2-one?
The IUPAC name of 4-(8-oxa-2-azaspiro[4.5]decane-4-carbonyl)piperazin-2-one (CID 110876620) is 4-(8-oxa-2-azaspiro[4.5]decane-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(8-oxa-2-azaspiro[4.5]decane-4-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(8-oxa-2-azaspiro[4.5]decane-4-carbonyl)piperazin-2-one is O=C1CN(C(=O)C2CNCC23CCOCC3)CCN1.
What is the InChIKey of 4-(8-oxa-2-azaspiro[4.5]decane-4-carbonyl)piperazin-2-one?
The InChIKey is OFUFHGNBQQAGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c17-11-8-16(4-3-15-11)12(18)10-7-14-9-13(10)1-5-19-6-2-13/h10,14H,1-9H2,(H,15,17).
What are the key properties of 4-(8-oxa-2-azaspiro[4.5]decane-4-carbonyl)piperazin-2-one?
4-(8-oxa-2-azaspiro[4.5]decane-4-carbonyl)piperazin-2-one has a molecular weight of 267.33 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-oxa-2-azaspiro[4.5]decane-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 110876620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).