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

C28H40N2O3 — CID 57387210

IUPACN-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NC1CCC(CCN2CCC(c3cccc4occc34)CC2)CC1
InChIInChI=1S/C28H40N2O3/c31-28(20-22-11-17-32-18-12-22)29-24-6-4-21(5-7-24)8-14-30-15-9-23(10-16-30)25-2-1-3-27-26(25)13-19-33-27/h1-3,13,19,21-24H,4-12,14-18,20H2,(H,29,31)
InChIKeySMYZAAOKKUETMB-UHFFFAOYSA-N
MW452.64 g/mol
LogP5.49
Rot. Bonds7

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

N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide (PubChem CID 57387210) has the molecular formula C28H40N2O3 and a molecular weight of 452.64 g/mol. Its IUPAC name is N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
PubChem CID57387210
Molecular FormulaC28H40N2O3
Molecular Weight452.64 g/mol
Exact Mass452.30
IUPAC NameN-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NC1CCC(CCN2CCC(c3cccc4occc34)CC2)CC1
InChIInChI=1S/C28H40N2O3/c31-28(20-22-11-17-32-18-12-22)29-24-6-4-21(5-7-24)8-14-30-15-9-23(10-16-30)25-2-1-3-27-26(25)13-19-33-27/h1-3,13,19,21-24H,4-12,14-18,20H2,(H,29,31)
InChIKeySMYZAAOKKUETMB-UHFFFAOYSA-N
XLogP5.49
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.64
LogP ≤ 55.49
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-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide (CID 57387210) is N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)NC1CCC(CCN2CCC(c3cccc4occc34)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide?
The InChIKey is SMYZAAOKKUETMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O3/c31-28(20-22-11-17-32-18-12-22)29-24-6-4-21(5-7-24)8-14-30-15-9-23(10-16-30)25-2-1-3-27-26(25)13-19-33-27/h1-3,13,19,21-24H,4-12,14-18,20H2,(H,29,31).
What are the key properties of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide?
N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide has a molecular weight of 452.64 g/mol, XLogP of 5.49, 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-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 57387210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).