(5S,7R)-N-(1-tert-butylpyrazol-4-yl)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide

C16H26N4O3 — CID 124890276

IUPAC(5S,7R)-N-(1-tert-butylpyrazol-4-yl)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2cnn(C(C)(C)C)c2)C[C@]2(CCOC2)O1
InChIInChI=1S/C16H26N4O3/c1-12-8-19(10-16(23-12)5-6-22-11-16)14(21)18-13-7-17-20(9-13)15(2,3)4/h7,9,12H,5-6,8,10-11H2,1-4H3,(H,18,21)/t12-,16+/m1/s1
InChIKeyQLYIOIAHIRCDAK-WBMJQRKESA-N
MW322.41 g/mol
LogP2.05
Rot. Bonds1

About (5S,7R)-N-(1-tert-butylpyrazol-4-yl)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide

(5S,7R)-N-(1-tert-butylpyrazol-4-yl)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 124890276) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is (5S,7R)-N-(1-tert-butylpyrazol-4-yl)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-(1-tert-butylpyrazol-4-yl)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID124890276
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name(5S,7R)-N-(1-tert-butylpyrazol-4-yl)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2cnn(C(C)(C)C)c2)C[C@]2(CCOC2)O1
InChIInChI=1S/C16H26N4O3/c1-12-8-19(10-16(23-12)5-6-22-11-16)14(21)18-13-7-17-20(9-13)15(2,3)4/h7,9,12H,5-6,8,10-11H2,1-4H3,(H,18,21)/t12-,16+/m1/s1
InChIKeyQLYIOIAHIRCDAK-WBMJQRKESA-N
XLogP2.05
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-(1-tert-butylpyrazol-4-yl)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of (5S,7R)-N-(1-tert-butylpyrazol-4-yl)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide (CID 124890276) is (5S,7R)-N-(1-tert-butylpyrazol-4-yl)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for (5S,7R)-N-(1-tert-butylpyrazol-4-yl)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for (5S,7R)-N-(1-tert-butylpyrazol-4-yl)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide is C[C@@H]1CN(C(=O)Nc2cnn(C(C)(C)C)c2)C[C@]2(CCOC2)O1.
What is the InChIKey of (5S,7R)-N-(1-tert-butylpyrazol-4-yl)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is QLYIOIAHIRCDAK-WBMJQRKESA-N. The full InChI is InChI=1S/C16H26N4O3/c1-12-8-19(10-16(23-12)5-6-22-11-16)14(21)18-13-7-17-20(9-13)15(2,3)4/h7,9,12H,5-6,8,10-11H2,1-4H3,(H,18,21)/t12-,16+/m1/s1.
What are the key properties of (5S,7R)-N-(1-tert-butylpyrazol-4-yl)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
(5S,7R)-N-(1-tert-butylpyrazol-4-yl)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N-(1-tert-butylpyrazol-4-yl)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 124890276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).