N-[3-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide

C27H31N3O4 — CID 46475702

About N-[3-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[3-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 46475702) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is N-[3-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
• PubChem CID: 46475702
• Molecular Formula: C27H31N3O4
• Molecular Weight: 461.56 g/mol
• Exact Mass: 461.23
• IUPAC Name: N-[3-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
• SMILES: CC1CCCCN1Cc1ccc(CNC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1
• InChI: InChI=1S/C27H31N3O4/c1-20-6-2-3-14-30(20)18-22-12-10-21(11-13-22)17-28-26(31)19-34-24-8-4-7-23(16-24)29-27(32)25-9-5-15-33-25/h4-5,7-13,15-16,20H,2-3,6,14,17-19H2,1H3,(H,28,31)(H,29,32)
• InChIKey: PPGMJFURTXTLQI-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 83.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.56
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?

The IUPAC name of N-[3-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 46475702) is N-[3-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[3-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?

The canonical SMILES for N-[3-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide is CC1CCCCN1Cc1ccc(CNC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1.

What is the InChIKey of N-[3-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?

The InChIKey is PPGMJFURTXTLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-20-6-2-3-14-30(20)18-22-12-10-21(11-13-22)17-28-26(31)19-34-24-8-4-7-23(16-24)29-27(32)25-9-5-15-33-25/h4-5,7-13,15-16,20H,2-3,6,14,17-19H2,1H3,(H,28,31)(H,29,32).

What are the key properties of N-[3-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?

N-[3-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 461.56 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46475702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).