(3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane

C16H27N3O — CID 97371263

IUPAC(3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)[C@@H]1COC2(CCN(Cc3cnn(C)c3)CC2)C1
InChIInChI=1S/C16H27N3O/c1-13(2)15-8-16(20-12-15)4-6-19(7-5-16)11-14-9-17-18(3)10-14/h9-10,13,15H,4-8,11-12H2,1-3H3/t15-/m0/s1
InChIKeyZVIYXQBTQKUVQJ-HNNXBMFYSA-N
MW277.41 g/mol
LogP2.45
Rot. Bonds3

About (3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane

(3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97371263) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID97371263
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)[C@@H]1COC2(CCN(Cc3cnn(C)c3)CC2)C1
InChIInChI=1S/C16H27N3O/c1-13(2)15-8-16(20-12-15)4-6-19(7-5-16)11-14-9-17-18(3)10-14/h9-10,13,15H,4-8,11-12H2,1-3H3/t15-/m0/s1
InChIKeyZVIYXQBTQKUVQJ-HNNXBMFYSA-N
XLogP2.45
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
CID 97485296
(3S)-3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97450663
3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 131641032
(3S)-8-[(3-fluoro-4-pyridinyl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 97394777
(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1-oxa-7-azaspiro[4.4]nonane
CID 124520492
(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98777995
(3S,5S)-7-[(1-methylpyrazol-4-yl)methyl]-N-phenyl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124521701
(3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97371261
(3R)-8-[(5-methylfuran-2-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371264
(3R,5S)-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97477913
(3S,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 124821973
7-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 134076709

Frequently Asked Questions

What is the IUPAC name of (3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane (CID 97371263) is (3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane is CC(C)[C@@H]1COC2(CCN(Cc3cnn(C)c3)CC2)C1.
What is the InChIKey of (3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is ZVIYXQBTQKUVQJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)15-8-16(20-12-15)4-6-19(7-5-16)11-14-9-17-18(3)10-14/h9-10,13,15H,4-8,11-12H2,1-3H3/t15-/m0/s1.
What are the key properties of (3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
(3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 277.41 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97371263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).