N-(3-cyclohexyl-1-methylpyrazol-4-yl)-6-oxa-9-azaspiro[3.6]decane-9-carboxamide

C19H30N4O2 — CID 128636882

IUPACN-(3-cyclohexyl-1-methylpyrazol-4-yl)-6-oxa-9-azaspiro[3.6]decane-9-carboxamide
SMILESCn1cc(NC(=O)N2CCOCC3(CCC3)C2)c(C2CCCCC2)n1
InChIInChI=1S/C19H30N4O2/c1-22-12-16(17(21-22)15-6-3-2-4-7-15)20-18(24)23-10-11-25-14-19(13-23)8-5-9-19/h12,15H,2-11,13-14H2,1H3,(H,20,24)
InChIKeyACYCXNDKOLACOQ-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.50
Rot. Bonds2

About N-(3-cyclohexyl-1-methylpyrazol-4-yl)-6-oxa-9-azaspiro[3.6]decane-9-carboxamide

N-(3-cyclohexyl-1-methylpyrazol-4-yl)-6-oxa-9-azaspiro[3.6]decane-9-carboxamide (PubChem CID 128636882) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-(3-cyclohexyl-1-methylpyrazol-4-yl)-6-oxa-9-azaspiro[3.6]decane-9-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-1-methylpyrazol-4-yl)-6-oxa-9-azaspiro[3.6]decane-9-carboxamide
PubChem CID128636882
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-(3-cyclohexyl-1-methylpyrazol-4-yl)-6-oxa-9-azaspiro[3.6]decane-9-carboxamide
SMILESCn1cc(NC(=O)N2CCOCC3(CCC3)C2)c(C2CCCCC2)n1
InChIInChI=1S/C19H30N4O2/c1-22-12-16(17(21-22)15-6-3-2-4-7-15)20-18(24)23-10-11-25-14-19(13-23)8-5-9-19/h12,15H,2-11,13-14H2,1H3,(H,20,24)
InChIKeyACYCXNDKOLACOQ-UHFFFAOYSA-N
XLogP3.50
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-1-methylpyrazol-4-yl)-6-oxa-9-azaspiro[3.6]decane-9-carboxamide?
The IUPAC name of N-(3-cyclohexyl-1-methylpyrazol-4-yl)-6-oxa-9-azaspiro[3.6]decane-9-carboxamide (CID 128636882) is N-(3-cyclohexyl-1-methylpyrazol-4-yl)-6-oxa-9-azaspiro[3.6]decane-9-carboxamide.
What is the SMILES notation for N-(3-cyclohexyl-1-methylpyrazol-4-yl)-6-oxa-9-azaspiro[3.6]decane-9-carboxamide?
The canonical SMILES for N-(3-cyclohexyl-1-methylpyrazol-4-yl)-6-oxa-9-azaspiro[3.6]decane-9-carboxamide is Cn1cc(NC(=O)N2CCOCC3(CCC3)C2)c(C2CCCCC2)n1.
What is the InChIKey of N-(3-cyclohexyl-1-methylpyrazol-4-yl)-6-oxa-9-azaspiro[3.6]decane-9-carboxamide?
The InChIKey is ACYCXNDKOLACOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-22-12-16(17(21-22)15-6-3-2-4-7-15)20-18(24)23-10-11-25-14-19(13-23)8-5-9-19/h12,15H,2-11,13-14H2,1H3,(H,20,24).
What are the key properties of N-(3-cyclohexyl-1-methylpyrazol-4-yl)-6-oxa-9-azaspiro[3.6]decane-9-carboxamide?
N-(3-cyclohexyl-1-methylpyrazol-4-yl)-6-oxa-9-azaspiro[3.6]decane-9-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-1-methylpyrazol-4-yl)-6-oxa-9-azaspiro[3.6]decane-9-carboxamide is sourced from PubChem (CID 128636882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).