7-(2-methoxyethyl)-2-[3-(3-methylpyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

C18H28N4O3 — CID 72884884

IUPAC7-(2-methoxyethyl)-2-[3-(3-methylpyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)CCn3ccc(C)n3)C2)C1=O
InChIInChI=1S/C18H28N4O3/c1-15-4-9-22(19-15)10-5-16(23)21-11-7-18(14-21)6-3-8-20(17(18)24)12-13-25-2/h4,9H,3,5-8,10-14H2,1-2H3
InChIKeyAICQVXQRXBMXTQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.07
Rot. Bonds6

About 7-(2-methoxyethyl)-2-[3-(3-methylpyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

7-(2-methoxyethyl)-2-[3-(3-methylpyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72884884) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-2-[3-(3-methylpyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-methoxyethyl)-2-[3-(3-methylpyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72884884
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name7-(2-methoxyethyl)-2-[3-(3-methylpyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)CCn3ccc(C)n3)C2)C1=O
InChIInChI=1S/C18H28N4O3/c1-15-4-9-22(19-15)10-5-16(23)21-11-7-18(14-21)6-3-8-20(17(18)24)12-13-25-2/h4,9H,3,5-8,10-14H2,1-2H3
InChIKeyAICQVXQRXBMXTQ-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-methyl-N-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56908764
7-isopropyl-2-[4-(1H-pyrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72936933
[1-[(1,5-Dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110249131
2-Methyl-8-(1-methyl-1H-pyrazole-5-carbonyl)-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane
CID 91911305
[8-[(1-Ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 124075214
1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 42147139
8-[3-(3-methylpyrazol-1-yl)propanoyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 96398353
[(3S)-1-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 96574005
(5S)-7-(cyclobutylmethyl)-2-(1-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97121098
2-(3-methoxypropyl)-8-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97204853
Sdccgsbi-0114528.P001
CID 45173601
[(2S,4R)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120949421

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-2-[3-(3-methylpyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-methoxyethyl)-2-[3-(3-methylpyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72884884) is 7-(2-methoxyethyl)-2-[3-(3-methylpyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-methoxyethyl)-2-[3-(3-methylpyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-methoxyethyl)-2-[3-(3-methylpyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(C(=O)CCn3ccc(C)n3)C2)C1=O.
What is the InChIKey of 7-(2-methoxyethyl)-2-[3-(3-methylpyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is AICQVXQRXBMXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-15-4-9-22(19-15)10-5-16(23)21-11-7-18(14-21)6-3-8-20(17(18)24)12-13-25-2/h4,9H,3,5-8,10-14H2,1-2H3.
What are the key properties of 7-(2-methoxyethyl)-2-[3-(3-methylpyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(2-methoxyethyl)-2-[3-(3-methylpyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 348.45 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-2-[3-(3-methylpyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72884884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).