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

C24H34N2O3 — CID 57387460

IUPACN-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCC(CCN2CCC(c3cccc4occc34)CC2)CC1
InChIInChI=1S/C24H34N2O3/c1-28-17-24(27)25-20-7-5-18(6-8-20)9-13-26-14-10-19(11-15-26)21-3-2-4-23-22(21)12-16-29-23/h2-4,12,16,18-20H,5-11,13-15,17H2,1H3,(H,25,27)
InChIKeyYNSPDEYTWHJYJV-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.32
Rot. Bonds7

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

N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide (PubChem CID 57387460) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide
PubChem CID57387460
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC NameN-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCC(CCN2CCC(c3cccc4occc34)CC2)CC1
InChIInChI=1S/C24H34N2O3/c1-28-17-24(27)25-20-7-5-18(6-8-20)9-13-26-14-10-19(11-15-26)21-3-2-4-23-22(21)12-16-29-23/h2-4,12,16,18-20H,5-11,13-15,17H2,1H3,(H,25,27)
InChIKeyYNSPDEYTWHJYJV-UHFFFAOYSA-N
XLogP4.32
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.32
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-methoxyacetamide?
The IUPAC name of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide (CID 57387460) is N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide is COCC(=O)NC1CCC(CCN2CCC(c3cccc4occc34)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide?
The InChIKey is YNSPDEYTWHJYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-28-17-24(27)25-20-7-5-18(6-8-20)9-13-26-14-10-19(11-15-26)21-3-2-4-23-22(21)12-16-29-23/h2-4,12,16,18-20H,5-11,13-15,17H2,1H3,(H,25,27).
What are the key properties of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide?
N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide has a molecular weight of 398.55 g/mol, XLogP of 4.32, 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-methoxyacetamide is sourced from PubChem (CID 57387460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).