N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]butanamide

C17H28N2O2 — CID 56715243

IUPACN-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CCCN(Cc2cc(C)c(C)o2)C1
InChIInChI=1S/C17H28N2O2/c1-4-6-17(20)18-10-15-7-5-8-19(11-15)12-16-9-13(2)14(3)21-16/h9,15H,4-8,10-12H2,1-3H3,(H,18,20)
InChIKeyMNAGZCAHGVOKDR-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.02
Rot. Bonds6

About N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]butanamide

N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]butanamide (PubChem CID 56715243) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]butanamide
PubChem CID56715243
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CCCN(Cc2cc(C)c(C)o2)C1
InChIInChI=1S/C17H28N2O2/c1-4-6-17(20)18-10-15-7-5-8-19(11-15)12-16-9-13(2)14(3)21-16/h9,15H,4-8,10-12H2,1-3H3,(H,18,20)
InChIKeyMNAGZCAHGVOKDR-UHFFFAOYSA-N
XLogP3.02
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]butanamide?
The IUPAC name of N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]butanamide (CID 56715243) is N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]butanamide?
The canonical SMILES for N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]butanamide is CCCC(=O)NCC1CCCN(Cc2cc(C)c(C)o2)C1.
What is the InChIKey of N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]butanamide?
The InChIKey is MNAGZCAHGVOKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-6-17(20)18-10-15-7-5-8-19(11-15)12-16-9-13(2)14(3)21-16/h9,15H,4-8,10-12H2,1-3H3,(H,18,20).
What are the key properties of N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]butanamide?
N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]butanamide has a molecular weight of 292.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 56715243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).