7-(2-methoxyethyl)-2-(5-methyl-1-propylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C19H30N4O3 — CID 56882036

IUPAC7-(2-methoxyethyl)-2-(5-methyl-1-propylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCn1ncc(C(=O)N2CCC3(CCCN(CCOC)C3=O)C2)c1C
InChIInChI=1S/C19H30N4O3/c1-4-8-23-15(2)16(13-20-23)17(24)22-10-7-19(14-22)6-5-9-21(18(19)25)11-12-26-3/h13H,4-12,14H2,1-3H3
InChIKeyXTPOGQMRTKRNPI-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.70
Rot. Bonds6

About 7-(2-methoxyethyl)-2-(5-methyl-1-propylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(2-methoxyethyl)-2-(5-methyl-1-propylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56882036) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-2-(5-methyl-1-propylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-methoxyethyl)-2-(5-methyl-1-propylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID56882036
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name7-(2-methoxyethyl)-2-(5-methyl-1-propylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCn1ncc(C(=O)N2CCC3(CCCN(CCOC)C3=O)C2)c1C
InChIInChI=1S/C19H30N4O3/c1-4-8-23-15(2)16(13-20-23)17(24)22-10-7-19(14-22)6-5-9-21(18(19)25)11-12-26-3/h13H,4-12,14H2,1-3H3
InChIKeyXTPOGQMRTKRNPI-UHFFFAOYSA-N
XLogP1.70
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-2-(5-methyl-1-propylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-methoxyethyl)-2-(5-methyl-1-propylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 56882036) is 7-(2-methoxyethyl)-2-(5-methyl-1-propylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-methoxyethyl)-2-(5-methyl-1-propylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-methoxyethyl)-2-(5-methyl-1-propylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CCCn1ncc(C(=O)N2CCC3(CCCN(CCOC)C3=O)C2)c1C.
What is the InChIKey of 7-(2-methoxyethyl)-2-(5-methyl-1-propylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is XTPOGQMRTKRNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-4-8-23-15(2)16(13-20-23)17(24)22-10-7-19(14-22)6-5-9-21(18(19)25)11-12-26-3/h13H,4-12,14H2,1-3H3.
What are the key properties of 7-(2-methoxyethyl)-2-(5-methyl-1-propylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2-methoxyethyl)-2-(5-methyl-1-propylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 362.47 g/mol, XLogP of 1.70, 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-(5-methyl-1-propylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56882036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).