1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone

C16H26N4O2 — CID 91922310

IUPAC1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone
SMILESCOCC1CN(C)CC12CCN(C(=O)Cn1cccn1)CC2
InChIInChI=1S/C16H26N4O2/c1-18-10-14(12-22-2)16(13-18)4-8-19(9-5-16)15(21)11-20-7-3-6-17-20/h3,6-7,14H,4-5,8-13H2,1-2H3
InChIKeyQVESPLIGCPNXSZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.70
Rot. Bonds4

About 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone

1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone (PubChem CID 91922310) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone
PubChem CID91922310
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone
SMILESCOCC1CN(C)CC12CCN(C(=O)Cn1cccn1)CC2
InChIInChI=1S/C16H26N4O2/c1-18-10-14(12-22-2)16(13-18)4-8-19(9-5-16)15(21)11-20-7-3-6-17-20/h3,6-7,14H,4-5,8-13H2,1-2H3
InChIKeyQVESPLIGCPNXSZ-UHFFFAOYSA-N
XLogP0.70
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone (CID 91922310) is 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone is COCC1CN(C)CC12CCN(C(=O)Cn1cccn1)CC2.
What is the InChIKey of 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone?
The InChIKey is QVESPLIGCPNXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18-10-14(12-22-2)16(13-18)4-8-19(9-5-16)15(21)11-20-7-3-6-17-20/h3,6-7,14H,4-5,8-13H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone?
1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone has a molecular weight of 306.41 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 91922310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).