1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone

C18H30N4O2 — CID 131687388

IUPAC1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone
SMILESCOCCN1CCCC12CCCN(C(=O)Cc1ccn(C)n1)CC2
InChIInChI=1S/C18H30N4O2/c1-20-11-5-16(19-20)15-17(23)21-9-3-6-18(8-12-21)7-4-10-22(18)13-14-24-2/h5,11H,3-4,6-10,12-15H2,1-2H3
InChIKeyCQFYSSLUKRQOTO-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.46
Rot. Bonds5

About 1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone

1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone (PubChem CID 131687388) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone
PubChem CID131687388
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone
SMILESCOCCN1CCCC12CCCN(C(=O)Cc1ccn(C)n1)CC2
InChIInChI=1S/C18H30N4O2/c1-20-11-5-16(19-20)15-17(23)21-9-3-6-18(8-12-21)7-4-10-22(18)13-14-24-2/h5,11H,3-4,6-10,12-15H2,1-2H3
InChIKeyCQFYSSLUKRQOTO-UHFFFAOYSA-N
XLogP1.46
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-1-[1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97493622
[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97493563
2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 126752802
(3-fluorophenyl)-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone
CID 131687377
(3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97396880
[(5R)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-(1,2-oxazol-5-yl)methanone
CID 97473242
8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688528
(1-fluorocyclopropyl)-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 131684327
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736
[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 131678675
2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone
CID 78921060
2-methyl-7-[2-(1-methylpyrazol-3-yl)acetyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131679626

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone (CID 131687388) is 1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone is COCCN1CCCC12CCCN(C(=O)Cc1ccn(C)n1)CC2.
What is the InChIKey of 1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is CQFYSSLUKRQOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-20-11-5-16(19-20)15-17(23)21-9-3-6-18(8-12-21)7-4-10-22(18)13-14-24-2/h5,11H,3-4,6-10,12-15H2,1-2H3.
What are the key properties of 1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone?
1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 334.46 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 131687388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).