(5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

C16H24N4O3 — CID 97489862

IUPAC(5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CC[C@@]2(CCCN(C(=O)c3ccnn3C)C2)C1=O
InChIInChI=1S/C16H24N4O3/c1-18-13(4-7-17-18)14(21)20-8-3-5-16(12-20)6-9-19(15(16)22)10-11-23-2/h4,7H,3,5-6,8-12H2,1-2H3/t16-/m1/s1
InChIKeyCPLMQYMQOVGABL-MRXNPFEDSA-N
MW320.39 g/mol
LogP0.52
Rot. Bonds4

About (5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

(5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97489862) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID97489862
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CC[C@@]2(CCCN(C(=O)c3ccnn3C)C2)C1=O
InChIInChI=1S/C16H24N4O3/c1-18-13(4-7-17-18)14(21)20-8-3-5-16(12-20)6-9-19(15(16)22)10-11-23-2/h4,7H,3,5-6,8-12H2,1-2H3/t16-/m1/s1
InChIKeyCPLMQYMQOVGABL-MRXNPFEDSA-N
XLogP0.52
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131638498
(5R)-9-(2-methylpyrazole-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490097
9-(2-methylpyrazole-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131645726
(5R)-2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127055
2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155855059
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126444076
(5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97395746
(5S)-2-(2H-benzotriazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97116173
(5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895269
7-(2-methoxyethyl)-2-(1-methyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72921168
2-(2-methoxyethyl)-7-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175643729
(5S)-9-(furan-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896591

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (CID 97489862) is (5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is COCCN1CC[C@@]2(CCCN(C(=O)c3ccnn3C)C2)C1=O.
What is the InChIKey of (5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is CPLMQYMQOVGABL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-18-13(4-7-17-18)14(21)20-8-3-5-16(12-20)6-9-19(15(16)22)10-11-23-2/h4,7H,3,5-6,8-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
(5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 320.39 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97489862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).