[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-ethylpyrazol-3-yl)methanone

C17H28N4O2 — CID 87053394

IUPAC[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)N1CC(CN(C)C)C2(CCOCC2)C1
InChIInChI=1S/C17H28N4O2/c1-4-21-15(5-8-18-21)16(22)20-12-14(11-19(2)3)17(13-20)6-9-23-10-7-17/h5,8,14H,4,6-7,9-13H2,1-3H3
InChIKeyYOCXSUMBODGXSI-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.33
Rot. Bonds4

About [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-ethylpyrazol-3-yl)methanone

[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-ethylpyrazol-3-yl)methanone (PubChem CID 87053394) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-ethylpyrazol-3-yl)methanone
PubChem CID87053394
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)N1CC(CN(C)C)C2(CCOCC2)C1
InChIInChI=1S/C17H28N4O2/c1-4-21-15(5-8-18-21)16(22)20-12-14(11-19(2)3)17(13-20)6-9-23-10-7-17/h5,8,14H,4,6-7,9-13H2,1-3H3
InChIKeyYOCXSUMBODGXSI-UHFFFAOYSA-N
XLogP1.33
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-ethylpyrazol-3-yl)methanone (CID 87053394) is [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-ethylpyrazol-3-yl)methanone is CCn1nccc1C(=O)N1CC(CN(C)C)C2(CCOCC2)C1.
What is the InChIKey of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is YOCXSUMBODGXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-21-15(5-8-18-21)16(22)20-12-14(11-19(2)3)17(13-20)6-9-23-10-7-17/h5,8,14H,4,6-7,9-13H2,1-3H3.
What are the key properties of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-ethylpyrazol-3-yl)methanone?
[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 320.44 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 87053394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).