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

C24H34N2O2 — CID 57379033

IUPACN-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide
SMILESCCC(=O)NC1CCC(CCN2CCC(c3cccc4occc34)CC2)CC1
InChIInChI=1S/C24H34N2O2/c1-2-24(27)25-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)21-4-3-5-23-22(21)13-17-28-23/h3-5,13,17-20H,2,6-12,14-16H2,1H3,(H,25,27)
InChIKeyBFHHRFYYBLXMIN-UHFFFAOYSA-N
MW382.55 g/mol
LogP5.09
Rot. Bonds6

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

N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide (PubChem CID 57379033) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide
PubChem CID57379033
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC NameN-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide
SMILESCCC(=O)NC1CCC(CCN2CCC(c3cccc4occc34)CC2)CC1
InChIInChI=1S/C24H34N2O2/c1-2-24(27)25-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)21-4-3-5-23-22(21)13-17-28-23/h3-5,13,17-20H,2,6-12,14-16H2,1H3,(H,25,27)
InChIKeyBFHHRFYYBLXMIN-UHFFFAOYSA-N
XLogP5.09
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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]propanamide?
The IUPAC name of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide (CID 57379033) is N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide.
What is the SMILES notation for N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide?
The canonical SMILES for N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide is CCC(=O)NC1CCC(CCN2CCC(c3cccc4occc34)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide?
The InChIKey is BFHHRFYYBLXMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-2-24(27)25-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)21-4-3-5-23-22(21)13-17-28-23/h3-5,13,17-20H,2,6-12,14-16H2,1H3,(H,25,27).
What are the key properties of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide?
N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]propanamide has a molecular weight of 382.55 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 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]propanamide is sourced from PubChem (CID 57379033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).