N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide

C25H35FN2O3 — CID 57385932

IUPACN-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCC(CCN2CCC(c3ccc(F)c4occc34)CC2)CC1
InChIInChI=1S/C25H35FN2O3/c1-30-16-12-24(29)27-20-4-2-18(3-5-20)8-13-28-14-9-19(10-15-28)21-6-7-23(26)25-22(21)11-17-31-25/h6-7,11,17-20H,2-5,8-10,12-16H2,1H3,(H,27,29)
InChIKeyXTUBFYJCRZIUBT-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.85
Rot. Bonds8

About N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide

N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide (PubChem CID 57385932) has the molecular formula C25H35FN2O3 and a molecular weight of 430.56 g/mol. Its IUPAC name is N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide
PubChem CID57385932
Molecular FormulaC25H35FN2O3
Molecular Weight430.56 g/mol
Exact Mass430.26
IUPAC NameN-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCC(CCN2CCC(c3ccc(F)c4occc34)CC2)CC1
InChIInChI=1S/C25H35FN2O3/c1-30-16-12-24(29)27-20-4-2-18(3-5-20)8-13-28-14-9-19(10-15-28)21-6-7-23(26)25-22(21)11-17-31-25/h6-7,11,17-20H,2-5,8-10,12-16H2,1H3,(H,27,29)
InChIKeyXTUBFYJCRZIUBT-UHFFFAOYSA-N
XLogP4.85
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.85
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]-3-methoxypropanamide?
The IUPAC name of N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide (CID 57385932) is N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide.
What is the SMILES notation for N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide?
The canonical SMILES for N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide is COCCC(=O)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]-3-methoxypropanamide?
The InChIKey is XTUBFYJCRZIUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN2O3/c1-30-16-12-24(29)27-20-4-2-18(3-5-20)8-13-28-14-9-19(10-15-28)21-6-7-23(26)25-22(21)11-17-31-25/h6-7,11,17-20H,2-5,8-10,12-16H2,1H3,(H,27,29).
What are the key properties of N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide?
N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide has a molecular weight of 430.56 g/mol, XLogP of 4.85, 8 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]-3-methoxypropanamide is sourced from PubChem (CID 57385932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).