[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone

C25H36N2O4 — CID 68578403

IUPAC[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)C1(c2ccc(OC3CCN(C4CCC4)CC3)cc2)CCOCC1
InChIInChI=1S/C25H36N2O4/c28-24(27-14-18-30-19-15-27)25(10-16-29-17-11-25)20-4-6-22(7-5-20)31-23-8-12-26(13-9-23)21-2-1-3-21/h4-7,21,23H,1-3,8-19H2
InChIKeyVQCXXYLXFYBGPR-UHFFFAOYSA-N
MW428.57 g/mol
LogP2.99
Rot. Bonds5

About [4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone

[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone (PubChem CID 68578403) has the molecular formula C25H36N2O4 and a molecular weight of 428.57 g/mol. Its IUPAC name is [4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone
PubChem CID68578403
Molecular FormulaC25H36N2O4
Molecular Weight428.57 g/mol
Exact Mass428.27
IUPAC Name[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)C1(c2ccc(OC3CCN(C4CCC4)CC3)cc2)CCOCC1
InChIInChI=1S/C25H36N2O4/c28-24(27-14-18-30-19-15-27)25(10-16-29-17-11-25)20-4-6-22(7-5-20)31-23-8-12-26(13-9-23)21-2-1-3-21/h4-7,21,23H,1-3,8-19H2
InChIKeyVQCXXYLXFYBGPR-UHFFFAOYSA-N
XLogP2.99
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone (CID 68578403) is [4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)C1(c2ccc(OC3CCN(C4CCC4)CC3)cc2)CCOCC1.
What is the InChIKey of [4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone?
The InChIKey is VQCXXYLXFYBGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O4/c28-24(27-14-18-30-19-15-27)25(10-16-29-17-11-25)20-4-6-22(7-5-20)31-23-8-12-26(13-9-23)21-2-1-3-21/h4-7,21,23H,1-3,8-19H2.
What are the key properties of [4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone?
[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone has a molecular weight of 428.57 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 68578403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).