N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

C17H28N4O2 — CID 124847930

IUPACN-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESCC(C)[C@H](CNC(=O)N1CCOC2(CCC2)C1)c1ccnn1C
InChIInChI=1S/C17H28N4O2/c1-13(2)14(15-5-8-19-20(15)3)11-18-16(22)21-9-10-23-17(12-21)6-4-7-17/h5,8,13-14H,4,6-7,9-12H2,1-3H3,(H,18,22)/t14-/m0/s1
InChIKeyLTLIFHCXYCMJJS-AWEZNQCLSA-N
MW320.44 g/mol
LogP2.12
Rot. Bonds4

About N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (PubChem CID 124847930) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
PubChem CID124847930
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESCC(C)[C@H](CNC(=O)N1CCOC2(CCC2)C1)c1ccnn1C
InChIInChI=1S/C17H28N4O2/c1-13(2)14(15-5-8-19-20(15)3)11-18-16(22)21-9-10-23-17(12-21)6-4-7-17/h5,8,13-14H,4,6-7,9-12H2,1-3H3,(H,18,22)/t14-/m0/s1
InChIKeyLTLIFHCXYCMJJS-AWEZNQCLSA-N
XLogP2.12
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(5-cyclopropylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-1-carboxamide
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Ethane;3-ethyl-1-propan-2-ylpyrazole;methane;methylcyclopentane;8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The IUPAC name of N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (CID 124847930) is N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.
What is the SMILES notation for N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The canonical SMILES for N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is CC(C)[C@H](CNC(=O)N1CCOC2(CCC2)C1)c1ccnn1C.
What is the InChIKey of N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The InChIKey is LTLIFHCXYCMJJS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13(2)14(15-5-8-19-20(15)3)11-18-16(22)21-9-10-23-17(12-21)6-4-7-17/h5,8,13-14H,4,6-7,9-12H2,1-3H3,(H,18,22)/t14-/m0/s1.
What are the key properties of N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is sourced from PubChem (CID 124847930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).