(3-hydroxy-3-methylcyclobutyl)-[6-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone

C19H26N2O3 — CID 164709976

IUPAC(3-hydroxy-3-methylcyclobutyl)-[6-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCOc1cccc(CC2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)n1
InChIInChI=1S/C19H26N2O3/c1-18(23)9-14(10-18)17(22)21-11-19(12-21)7-13(8-19)6-15-4-3-5-16(20-15)24-2/h3-5,13-14,23H,6-12H2,1-2H3
InChIKeyKEYUWNVIWVEFMD-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.03
Rot. Bonds4

About (3-hydroxy-3-methylcyclobutyl)-[6-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[6-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 164709976) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[6-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylcyclobutyl)-[6-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID164709976
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(3-hydroxy-3-methylcyclobutyl)-[6-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCOc1cccc(CC2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)n1
InChIInChI=1S/C19H26N2O3/c1-18(23)9-14(10-18)17(22)21-11-19(12-21)7-13(8-19)6-15-4-3-5-16(20-15)24-2/h3-5,13-14,23H,6-12H2,1-2H3
InChIKeyKEYUWNVIWVEFMD-UHFFFAOYSA-N
XLogP2.03
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 164709976) is (3-hydroxy-3-methylcyclobutyl)-[6-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[6-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[6-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone is COc1cccc(CC2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)n1.
What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[6-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is KEYUWNVIWVEFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-18(23)9-14(10-18)17(22)21-11-19(12-21)7-13(8-19)6-15-4-3-5-16(20-15)24-2/h3-5,13-14,23H,6-12H2,1-2H3.
What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[6-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
(3-hydroxy-3-methylcyclobutyl)-[6-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 330.43 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylcyclobutyl)-[6-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 164709976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).