1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone

C12H17N3O3 — CID 103860781

IUPAC1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCC3(C2)OCCO3)n1
InChIInChI=1S/C12H17N3O3/c1-14-6-3-10(13-14)11(16)15-5-2-4-12(9-15)17-7-8-18-12/h3,6H,2,4-5,7-9H2,1H3
InChIKeyAFHJMFCTIYVXPU-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.40
Rot. Bonds1

About 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone

1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone (PubChem CID 103860781) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone
PubChem CID103860781
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCC3(C2)OCCO3)n1
InChIInChI=1S/C12H17N3O3/c1-14-6-3-10(13-14)11(16)15-5-2-4-12(9-15)17-7-8-18-12/h3,6H,2,4-5,7-9H2,1H3
InChIKeyAFHJMFCTIYVXPU-UHFFFAOYSA-N
XLogP0.40
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone with MolForge

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Related Compounds

(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
(3R)-N,N,3-trimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 95815536
(2R)-2-methyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815549
[3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110257094
[(3S,5R)-3-[(dimethylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylpyrazol-3-yl)methanone
CID 97397134
N,N,2-trimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 110253416
(2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815552
[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95848592
(2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103890671
1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone
CID 103860774
(2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103892687
(2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 141314396

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone (CID 103860781) is 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CCCC3(C2)OCCO3)n1.
What is the InChIKey of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone?
The InChIKey is AFHJMFCTIYVXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-14-6-3-10(13-14)11(16)15-5-2-4-12(9-15)17-7-8-18-12/h3,6H,2,4-5,7-9H2,1H3.
What are the key properties of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone?
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone has a molecular weight of 251.29 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 103860781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).