N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide

C28H39FN2O3 — CID 57385677

IUPACN-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NC1CCC(CCN2CCC(c3ccc(F)c4occc34)CC2)CC1
InChIInChI=1S/C28H39FN2O3/c29-26-6-5-24(25-12-18-34-28(25)26)22-8-14-31(15-9-22)13-7-20-1-3-23(4-2-20)30-27(32)19-21-10-16-33-17-11-21/h5-6,12,18,20-23H,1-4,7-11,13-17,19H2,(H,30,32)
InChIKeyPYXPRMLVOWMRMK-UHFFFAOYSA-N
MW470.63 g/mol
LogP5.63
Rot. Bonds7

About N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide

N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide (PubChem CID 57385677) has the molecular formula C28H39FN2O3 and a molecular weight of 470.63 g/mol. Its IUPAC name is N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
PubChem CID57385677
Molecular FormulaC28H39FN2O3
Molecular Weight470.63 g/mol
Exact Mass470.29
IUPAC NameN-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NC1CCC(CCN2CCC(c3ccc(F)c4occc34)CC2)CC1
InChIInChI=1S/C28H39FN2O3/c29-26-6-5-24(25-12-18-34-28(25)26)22-8-14-31(15-9-22)13-7-20-1-3-23(4-2-20)30-27(32)19-21-10-16-33-17-11-21/h5-6,12,18,20-23H,1-4,7-11,13-17,19H2,(H,30,32)
InChIKeyPYXPRMLVOWMRMK-UHFFFAOYSA-N
XLogP5.63
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.63
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide (CID 57385677) is N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)NC1CCC(CCN2CCC(c3ccc(F)c4occc34)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide?
The InChIKey is PYXPRMLVOWMRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39FN2O3/c29-26-6-5-24(25-12-18-34-28(25)26)22-8-14-31(15-9-22)13-7-20-1-3-23(4-2-20)30-27(32)19-21-10-16-33-17-11-21/h5-6,12,18,20-23H,1-4,7-11,13-17,19H2,(H,30,32).
What are the key properties of N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide?
N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide has a molecular weight of 470.63 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 57385677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).