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

C16H26N4O2 — CID 91922301

IUPAC(1-ethylpyrazol-4-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCCn1cc(C(=O)N2CC(COC)C3(CCNCC3)C2)cn1
InChIInChI=1S/C16H26N4O2/c1-3-20-9-13(8-18-20)15(21)19-10-14(11-22-2)16(12-19)4-6-17-7-5-16/h8-9,14,17H,3-7,10-12H2,1-2H3
InChIKeyQYNVBGDGMBXYKH-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.99
Rot. Bonds4

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

(1-ethylpyrazol-4-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 91922301) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID91922301
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(1-ethylpyrazol-4-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCCn1cc(C(=O)N2CC(COC)C3(CCNCC3)C2)cn1
InChIInChI=1S/C16H26N4O2/c1-3-20-9-13(8-18-20)15(21)19-10-14(11-22-2)16(12-19)4-6-17-7-5-16/h8-9,14,17H,3-7,10-12H2,1-2H3
InChIKeyQYNVBGDGMBXYKH-UHFFFAOYSA-N
XLogP0.99
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (CID 91922301) is (1-ethylpyrazol-4-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is CCn1cc(C(=O)N2CC(COC)C3(CCNCC3)C2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is QYNVBGDGMBXYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-20-9-13(8-18-20)15(21)19-10-14(11-22-2)16(12-19)4-6-17-7-5-16/h8-9,14,17H,3-7,10-12H2,1-2H3.
What are the key properties of (1-ethylpyrazol-4-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
(1-ethylpyrazol-4-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 91922301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).