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

C27H38N2O3 — CID 57387209

IUPACN-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide
SMILESO=C(NC1CCC(CCN2CCC(c3cccc4occc34)CC2)CC1)C1CCOCC1
InChIInChI=1S/C27H38N2O3/c30-27(22-11-17-31-18-12-22)28-23-6-4-20(5-7-23)8-14-29-15-9-21(10-16-29)24-2-1-3-26-25(24)13-19-32-26/h1-3,13,19-23H,4-12,14-18H2,(H,28,30)
InChIKeyMFAOTUDCDBJKBZ-UHFFFAOYSA-N
MW438.61 g/mol
LogP5.10
Rot. Bonds6

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

N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide (PubChem CID 57387209) has the molecular formula C27H38N2O3 and a molecular weight of 438.61 g/mol. Its IUPAC name is N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide
PubChem CID57387209
Molecular FormulaC27H38N2O3
Molecular Weight438.61 g/mol
Exact Mass438.29
IUPAC NameN-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide
SMILESO=C(NC1CCC(CCN2CCC(c3cccc4occc34)CC2)CC1)C1CCOCC1
InChIInChI=1S/C27H38N2O3/c30-27(22-11-17-31-18-12-22)28-23-6-4-20(5-7-23)8-14-29-15-9-21(10-16-29)24-2-1-3-26-25(24)13-19-32-26/h1-3,13,19-23H,4-12,14-18H2,(H,28,30)
InChIKeyMFAOTUDCDBJKBZ-UHFFFAOYSA-N
XLogP5.10
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide?
The IUPAC name of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide (CID 57387209) is N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide is O=C(NC1CCC(CCN2CCC(c3cccc4occc34)CC2)CC1)C1CCOCC1.
What is the InChIKey of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide?
The InChIKey is MFAOTUDCDBJKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O3/c30-27(22-11-17-31-18-12-22)28-23-6-4-20(5-7-23)8-14-29-15-9-21(10-16-29)24-2-1-3-26-25(24)13-19-32-26/h1-3,13,19-23H,4-12,14-18H2,(H,28,30).
What are the key properties of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide?
N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide has a molecular weight of 438.61 g/mol, XLogP of 5.10, 6 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]oxane-4-carboxamide is sourced from PubChem (CID 57387209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).