2-(3-methoxypropyl)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C20H32N4O3 — CID 72844892

IUPAC2-(3-methoxypropyl)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCCc1cc(C(=O)N2CCC3(CC2)CC(=O)N(CCCOC)C3)n(C)n1
InChIInChI=1S/C20H32N4O3/c1-4-6-16-13-17(22(2)21-16)19(26)23-10-7-20(8-11-23)14-18(25)24(15-20)9-5-12-27-3/h13H,4-12,14-15H2,1-3H3
InChIKeyAEKXJZMMGQZTFM-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.86
Rot. Bonds7

About 2-(3-methoxypropyl)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

2-(3-methoxypropyl)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72844892) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72844892
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name2-(3-methoxypropyl)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCCc1cc(C(=O)N2CCC3(CC2)CC(=O)N(CCCOC)C3)n(C)n1
InChIInChI=1S/C20H32N4O3/c1-4-6-16-13-17(22(2)21-16)19(26)23-10-7-20(8-11-23)14-18(25)24(15-20)9-5-12-27-3/h13H,4-12,14-15H2,1-3H3
InChIKeyAEKXJZMMGQZTFM-UHFFFAOYSA-N
XLogP1.86
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-methoxypropyl)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72844892) is 2-(3-methoxypropyl)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-methoxypropyl)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-methoxypropyl)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is CCCc1cc(C(=O)N2CCC3(CC2)CC(=O)N(CCCOC)C3)n(C)n1.
What is the InChIKey of 2-(3-methoxypropyl)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is AEKXJZMMGQZTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-4-6-16-13-17(22(2)21-16)19(26)23-10-7-20(8-11-23)14-18(25)24(15-20)9-5-12-27-3/h13H,4-12,14-15H2,1-3H3.
What are the key properties of 2-(3-methoxypropyl)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
2-(3-methoxypropyl)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 376.50 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72844892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).