2-ethoxy-1-[1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone

C17H28N4O2 — CID 97493622

IUPAC2-ethoxy-1-[1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCCOCC(=O)N1CCC2(CCCN2Cc2ccn(C)n2)CC1
InChIInChI=1S/C17H28N4O2/c1-3-23-14-16(22)20-11-7-17(8-12-20)6-4-9-21(17)13-15-5-10-19(2)18-15/h5,10H,3-4,6-9,11-14H2,1-2H3
InChIKeyVSBVINOKUHDWGO-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.41
Rot. Bonds5

About 2-ethoxy-1-[1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone

2-ethoxy-1-[1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone (PubChem CID 97493622) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-ethoxy-1-[1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
PubChem CID97493622
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-ethoxy-1-[1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCCOCC(=O)N1CCC2(CCCN2Cc2ccn(C)n2)CC1
InChIInChI=1S/C17H28N4O2/c1-3-23-14-16(22)20-11-7-17(8-12-20)6-4-9-21(17)13-15-5-10-19(2)18-15/h5,10H,3-4,6-9,11-14H2,1-2H3
InChIKeyVSBVINOKUHDWGO-UHFFFAOYSA-N
XLogP1.41
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone
CID 131687388
2-ethoxy-1-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 110155675
1-[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97493667
8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72927226
2-ethoxy-1-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 134070359
2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone
CID 79567430
1-amino-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 82873363
2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 127763978
2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874750
(5R)-9-(2-ethoxyacetyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895363
2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone
CID 78921060
8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896665

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone (CID 97493622) is 2-ethoxy-1-[1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone is CCOCC(=O)N1CCC2(CCCN2Cc2ccn(C)n2)CC1.
What is the InChIKey of 2-ethoxy-1-[1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is VSBVINOKUHDWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-23-14-16(22)20-11-7-17(8-12-20)6-4-9-21(17)13-15-5-10-19(2)18-15/h5,10H,3-4,6-9,11-14H2,1-2H3.
What are the key properties of 2-ethoxy-1-[1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone?
2-ethoxy-1-[1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 320.44 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 97493622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).