4-[2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]ethyl]oxane-4-carboxamide

C23H34N2O3 — CID 69215154

IUPAC4-[2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]ethyl]oxane-4-carboxamide
SMILESNC(=O)C1(CCc2ccc(OC3CCN(C4CCC4)CC3)cc2)CCOCC1
InChIInChI=1S/C23H34N2O3/c24-22(26)23(12-16-27-17-13-23)11-8-18-4-6-20(7-5-18)28-21-9-14-25(15-10-21)19-2-1-3-19/h4-7,19,21H,1-3,8-17H2,(H2,24,26)
InChIKeyUYTXBNAXKHCIFO-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.30
Rot. Bonds7

About 4-[2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]ethyl]oxane-4-carboxamide

4-[2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]ethyl]oxane-4-carboxamide (PubChem CID 69215154) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is 4-[2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]ethyl]oxane-4-carboxamide
PubChem CID69215154
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name4-[2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]ethyl]oxane-4-carboxamide
SMILESNC(=O)C1(CCc2ccc(OC3CCN(C4CCC4)CC3)cc2)CCOCC1
InChIInChI=1S/C23H34N2O3/c24-22(26)23(12-16-27-17-13-23)11-8-18-4-6-20(7-5-18)28-21-9-14-25(15-10-21)19-2-1-3-19/h4-7,19,21H,1-3,8-17H2,(H2,24,26)
InChIKeyUYTXBNAXKHCIFO-UHFFFAOYSA-N
XLogP3.30
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]ethyl]oxane-4-carboxamide?
The IUPAC name of 4-[2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]ethyl]oxane-4-carboxamide (CID 69215154) is 4-[2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-[2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]ethyl]oxane-4-carboxamide is NC(=O)C1(CCc2ccc(OC3CCN(C4CCC4)CC3)cc2)CCOCC1.
What is the InChIKey of 4-[2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]ethyl]oxane-4-carboxamide?
The InChIKey is UYTXBNAXKHCIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c24-22(26)23(12-16-27-17-13-23)11-8-18-4-6-20(7-5-18)28-21-9-14-25(15-10-21)19-2-1-3-19/h4-7,19,21H,1-3,8-17H2,(H2,24,26).
What are the key properties of 4-[2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]ethyl]oxane-4-carboxamide?
4-[2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]ethyl]oxane-4-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 69215154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).