(1-tert-butyl-3-methylpyrazol-4-yl)-[(5R)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl]methanone

C17H28N4O2 — CID 164636658

IUPAC(1-tert-butyl-3-methylpyrazol-4-yl)-[(5R)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl]methanone
SMILESCc1nn(C(C)(C)C)cc1C(=O)N1CCN(C)[C@]2(CCOC2)C1
InChIInChI=1S/C17H28N4O2/c1-13-14(10-21(18-13)16(2,3)4)15(22)20-8-7-19(5)17(11-20)6-9-23-12-17/h10H,6-9,11-12H2,1-5H3/t17-/m1/s1
InChIKeyPPGLNTFRPCUFPC-QGZVFWFLSA-N
MW320.44 g/mol
LogP1.49
Rot. Bonds1

About (1-tert-butyl-3-methylpyrazol-4-yl)-[(5R)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl]methanone

(1-tert-butyl-3-methylpyrazol-4-yl)-[(5R)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl]methanone (PubChem CID 164636658) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (1-tert-butyl-3-methylpyrazol-4-yl)-[(5R)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name(1-tert-butyl-3-methylpyrazol-4-yl)-[(5R)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl]methanone
PubChem CID164636658
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(1-tert-butyl-3-methylpyrazol-4-yl)-[(5R)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl]methanone
SMILESCc1nn(C(C)(C)C)cc1C(=O)N1CCN(C)[C@]2(CCOC2)C1
InChIInChI=1S/C17H28N4O2/c1-13-14(10-21(18-13)16(2,3)4)15(22)20-8-7-19(5)17(11-20)6-9-23-12-17/h10H,6-9,11-12H2,1-5H3/t17-/m1/s1
InChIKeyPPGLNTFRPCUFPC-QGZVFWFLSA-N
XLogP1.49
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-3-methylpyrazol-4-yl)-[(5R)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of (1-tert-butyl-3-methylpyrazol-4-yl)-[(5R)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl]methanone (CID 164636658) is (1-tert-butyl-3-methylpyrazol-4-yl)-[(5R)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for (1-tert-butyl-3-methylpyrazol-4-yl)-[(5R)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for (1-tert-butyl-3-methylpyrazol-4-yl)-[(5R)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl]methanone is Cc1nn(C(C)(C)C)cc1C(=O)N1CCN(C)[C@]2(CCOC2)C1.
What is the InChIKey of (1-tert-butyl-3-methylpyrazol-4-yl)-[(5R)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl]methanone?
The InChIKey is PPGLNTFRPCUFPC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-14(10-21(18-13)16(2,3)4)15(22)20-8-7-19(5)17(11-20)6-9-23-12-17/h10H,6-9,11-12H2,1-5H3/t17-/m1/s1.
What are the key properties of (1-tert-butyl-3-methylpyrazol-4-yl)-[(5R)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl]methanone?
(1-tert-butyl-3-methylpyrazol-4-yl)-[(5R)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl]methanone has a molecular weight of 320.44 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-3-methylpyrazol-4-yl)-[(5R)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 164636658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).