N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide

C21H28N2O2 — CID 24791543

IUPACN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide
SMILESCC(C)Cc1ccc(CN2CCCC(NC(=O)c3ccoc3)C2)cc1
InChIInChI=1S/C21H28N2O2/c1-16(2)12-17-5-7-18(8-6-17)13-23-10-3-4-20(14-23)22-21(24)19-9-11-25-15-19/h5-9,11,15-16,20H,3-4,10,12-14H2,1-2H3,(H,22,24)
InChIKeyIHAXISUTIBXTKN-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.87
Rot. Bonds6

About N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide

N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide (PubChem CID 24791543) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide
PubChem CID24791543
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide
SMILESCC(C)Cc1ccc(CN2CCCC(NC(=O)c3ccoc3)C2)cc1
InChIInChI=1S/C21H28N2O2/c1-16(2)12-17-5-7-18(8-6-17)13-23-10-3-4-20(14-23)22-21(24)19-9-11-25-15-19/h5-9,11,15-16,20H,3-4,10,12-14H2,1-2H3,(H,22,24)
InChIKeyIHAXISUTIBXTKN-UHFFFAOYSA-N
XLogP3.87
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide (CID 24791543) is N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide is CC(C)Cc1ccc(CN2CCCC(NC(=O)c3ccoc3)C2)cc1.
What is the InChIKey of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide?
The InChIKey is IHAXISUTIBXTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16(2)12-17-5-7-18(8-6-17)13-23-10-3-4-20(14-23)22-21(24)19-9-11-25-15-19/h5-9,11,15-16,20H,3-4,10,12-14H2,1-2H3,(H,22,24).
What are the key properties of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide?
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide is sourced from PubChem (CID 24791543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).