1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylpyrazol-3-yl)methanone

C12H17N3O3 — CID 6469573

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H17N3O3/c1-14-10(2-5-13-14)11(16)15-6-3-12(4-7-15)17-8-9-18-12/h2,5H,3-4,6-9H2,1H3
InChIKeyKDSNXQASABGVLQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.40
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylpyrazol-3-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylpyrazol-3-yl)methanone (PubChem CID 6469573) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylpyrazol-3-yl)methanone
PubChem CID6469573
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H17N3O3/c1-14-10(2-5-13-14)11(16)15-6-3-12(4-7-15)17-8-9-18-12/h2,5H,3-4,6-9H2,1H3
InChIKeyKDSNXQASABGVLQ-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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylpyrazol-3-yl)methanone (CID 6469573) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylpyrazol-3-yl)methanone?
The InChIKey is KDSNXQASABGVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-14-10(2-5-13-14)11(16)15-6-3-12(4-7-15)17-8-9-18-12/h2,5H,3-4,6-9H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylpyrazol-3-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-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-8-azaspiro[4.5]decan-8-yl-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 6469573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).