4-[(1-methylpyrazol-4-yl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C16H28N4O2 — CID 131639933

IUPAC4-[(1-methylpyrazol-4-yl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCC(C)N1CCOCC2(CN(Cc3cnn(C)c3)CCO2)C1
InChIInChI=1S/C16H28N4O2/c1-14(2)20-5-6-21-13-16(12-20)11-19(4-7-22-16)10-15-8-17-18(3)9-15/h8-9,14H,4-7,10-13H2,1-3H3
InChIKeyNPBXRYUEAQZBOV-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.73
Rot. Bonds3

About 4-[(1-methylpyrazol-4-yl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

4-[(1-methylpyrazol-4-yl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 131639933) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-4-yl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name4-[(1-methylpyrazol-4-yl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID131639933
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name4-[(1-methylpyrazol-4-yl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCC(C)N1CCOCC2(CN(Cc3cnn(C)c3)CCO2)C1
InChIInChI=1S/C16H28N4O2/c1-14(2)20-5-6-21-13-16(12-20)11-19(4-7-22-16)10-15-8-17-18(3)9-15/h8-9,14H,4-7,10-13H2,1-3H3
InChIKeyNPBXRYUEAQZBOV-UHFFFAOYSA-N
XLogP0.73
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(1-methylpyrazol-4-yl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane 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 4-[(1-methylpyrazol-4-yl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 4-[(1-methylpyrazol-4-yl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 131639933) is 4-[(1-methylpyrazol-4-yl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 4-[(1-methylpyrazol-4-yl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 4-[(1-methylpyrazol-4-yl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is CC(C)N1CCOCC2(CN(Cc3cnn(C)c3)CCO2)C1.
What is the InChIKey of 4-[(1-methylpyrazol-4-yl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is NPBXRYUEAQZBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-14(2)20-5-6-21-13-16(12-20)11-19(4-7-22-16)10-15-8-17-18(3)9-15/h8-9,14H,4-7,10-13H2,1-3H3.
What are the key properties of 4-[(1-methylpyrazol-4-yl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
4-[(1-methylpyrazol-4-yl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 308.43 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-4-yl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 131639933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).