2-(2-methoxyethyl)-9-(3-pyrazol-1-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one

C18H28N4O3 — CID 72880195

IUPAC2-(2-methoxyethyl)-9-(3-pyrazol-1-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)CCn1cccn1)CC2
InChIInChI=1S/C18H28N4O3/c1-25-14-13-21-15-18(5-3-16(21)23)6-11-20(12-7-18)17(24)4-10-22-9-2-8-19-22/h2,8-9H,3-7,10-15H2,1H3
InChIKeyADJDLTRIUPFJOP-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.15
Rot. Bonds6

About 2-(2-methoxyethyl)-9-(3-pyrazol-1-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-9-(3-pyrazol-1-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72880195) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-(3-pyrazol-1-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-(3-pyrazol-1-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72880195
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name2-(2-methoxyethyl)-9-(3-pyrazol-1-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)CCn1cccn1)CC2
InChIInChI=1S/C18H28N4O3/c1-25-14-13-21-15-18(5-3-16(21)23)6-11-20(12-7-18)17(24)4-10-22-9-2-8-19-22/h2,8-9H,3-7,10-15H2,1H3
InChIKeyADJDLTRIUPFJOP-UHFFFAOYSA-N
XLogP1.15
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclohexylmethyl)-N-ethyl-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
CID 24790120
2-(cyclopropylmethyl)-9-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72913360
1-[(1-ethyl-4-piperidinyl)acetyl]-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 72918909
1-[(1-isopropyl-4-piperidinyl)acetyl]-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 72925091
7-isopropyl-2-[4-(1H-pyrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72936933
9-(2-Methoxyethyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97392238
N-ethyl-1-[2-(4-morpholinyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24819250
1-(cyclopentylcarbonyl)-N-methyl-N-[3-(1H-pyrazol-1-yl)propyl]-4-piperidinecarboxamide
CID 72846778
7-(2-methoxyethyl)-2-[3-(3-methyl-1H-pyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72884884
1-[3-(4-morpholinyl)propyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72924482
2-(2-methoxyethyl)-9-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72905510
9-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72932265

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-(3-pyrazol-1-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-9-(3-pyrazol-1-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72880195) is 2-(2-methoxyethyl)-9-(3-pyrazol-1-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-9-(3-pyrazol-1-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-9-(3-pyrazol-1-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(C(=O)CCn1cccn1)CC2.
What is the InChIKey of 2-(2-methoxyethyl)-9-(3-pyrazol-1-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ADJDLTRIUPFJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-25-14-13-21-15-18(5-3-16(21)23)6-11-20(12-7-18)17(24)4-10-22-9-2-8-19-22/h2,8-9H,3-7,10-15H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-9-(3-pyrazol-1-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-9-(3-pyrazol-1-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 348.45 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-(3-pyrazol-1-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72880195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).