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

C24H34N2O4 — CID 25369685

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

N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 25369685) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]propanamide
• PubChem CID: 25369685
• Molecular Formula: C24H34N2O4
• Molecular Weight: 414.55 g/mol
• Exact Mass: 414.25
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]propanamide
• SMILES: COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3cc(C)c(C)o3)C2)c(OC)c1
• InChI: InChI=1S/C24H34N2O4/c1-17-12-22(30-18(17)2)16-26-11-5-6-19(15-26)7-10-24(27)25-14-20-8-9-21(28-3)13-23(20)29-4/h8-9,12-13,19H,5-7,10-11,14-16H2,1-4H3,(H,25,27)/t19-/m0/s1
• InChIKey: GELCWNDADJTUIZ-IBGZPJMESA-N
• XLogP: 4.22
• TPSA: 63.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.55
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]propanamide?

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]propanamide (CID 25369685) is N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]propanamide.

What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]propanamide?

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]propanamide is COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3cc(C)c(C)o3)C2)c(OC)c1.

What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]propanamide?

The InChIKey is GELCWNDADJTUIZ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H34N2O4/c1-17-12-22(30-18(17)2)16-26-11-5-6-19(15-26)7-10-24(27)25-14-20-8-9-21(28-3)13-23(20)29-4/h8-9,12-13,19H,5-7,10-11,14-16H2,1-4H3,(H,25,27)/t19-/m0/s1.

What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]propanamide?

N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 414.55 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 25369685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).