2-(2-methoxyethyl)-9-(1,3,5-trimethylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H30N4O3 — CID 72869207

IUPAC2-(2-methoxyethyl)-9-(1,3,5-trimethylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)c1c(C)nn(C)c1C)CC2
InChIInChI=1S/C19H30N4O3/c1-14-17(15(2)21(3)20-14)18(25)22-9-7-19(8-10-22)6-5-16(24)23(13-19)11-12-26-4/h5-13H2,1-4H3
InChIKeyJAYBPBRARYGHRL-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.53
Rot. Bonds4

About 2-(2-methoxyethyl)-9-(1,3,5-trimethylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-9-(1,3,5-trimethylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72869207) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-(1,3,5-trimethylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-(1,3,5-trimethylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72869207
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name2-(2-methoxyethyl)-9-(1,3,5-trimethylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)c1c(C)nn(C)c1C)CC2
InChIInChI=1S/C19H30N4O3/c1-14-17(15(2)21(3)20-14)18(25)22-9-7-19(8-10-22)6-5-16(24)23(13-19)11-12-26-4/h5-13H2,1-4H3
InChIKeyJAYBPBRARYGHRL-UHFFFAOYSA-N
XLogP1.53
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-(1,3,5-trimethylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-9-(1,3,5-trimethylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72869207) is 2-(2-methoxyethyl)-9-(1,3,5-trimethylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-9-(1,3,5-trimethylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-9-(1,3,5-trimethylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(C(=O)c1c(C)nn(C)c1C)CC2.
What is the InChIKey of 2-(2-methoxyethyl)-9-(1,3,5-trimethylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JAYBPBRARYGHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-14-17(15(2)21(3)20-14)18(25)22-9-7-19(8-10-22)6-5-16(24)23(13-19)11-12-26-4/h5-13H2,1-4H3.
What are the key properties of 2-(2-methoxyethyl)-9-(1,3,5-trimethylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-9-(1,3,5-trimethylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.47 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-(1,3,5-trimethylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72869207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).