(1,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone

C16H26N4O2 — CID 91910484

IUPAC(1,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCOCC1CN(C(=O)c2cc(C)n(C)n2)CC12CCNCC2
InChIInChI=1S/C16H26N4O2/c1-12-8-14(18-19(12)2)15(21)20-9-13(10-22-3)16(11-20)4-6-17-7-5-16/h8,13,17H,4-7,9-11H2,1-3H3
InChIKeyCQIDAQDJJFKIJE-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.82
Rot. Bonds3

About (1,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone

(1,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 91910484) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID91910484
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCOCC1CN(C(=O)c2cc(C)n(C)n2)CC12CCNCC2
InChIInChI=1S/C16H26N4O2/c1-12-8-14(18-19(12)2)15(21)20-9-13(10-22-3)16(11-20)4-6-17-7-5-16/h8,13,17H,4-7,9-11H2,1-3H3
InChIKeyCQIDAQDJJFKIJE-UHFFFAOYSA-N
XLogP0.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (CID 91910484) is (1,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is COCC1CN(C(=O)c2cc(C)n(C)n2)CC12CCNCC2.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is CQIDAQDJJFKIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-8-14(18-19(12)2)15(21)20-9-13(10-22-3)16(11-20)4-6-17-7-5-16/h8,13,17H,4-7,9-11H2,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
(1,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 91910484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).