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

C28H33N3O3 — CID 55708734

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

N-[1-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 55708734) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-[1-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
• PubChem CID: 55708734
• Molecular Formula: C28H33N3O3
• Molecular Weight: 459.59 g/mol
• Exact Mass: 459.25
• IUPAC Name: N-[1-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
• SMILES: CC1CCCCN1Cc1ccc(CNC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)cc1
• InChI: InChI=1S/C28H33N3O3/c1-21-8-5-6-16-31(21)20-24-14-12-23(13-15-24)19-29-27(32)25(18-22-9-3-2-4-10-22)30-28(33)26-11-7-17-34-26/h2-4,7,9-15,17,21,25H,5-6,8,16,18-20H2,1H3,(H,29,32)(H,30,33)
• InChIKey: MNNWUMBPJSBBGR-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 74.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.59
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[1-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 55708734) is N-[1-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

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

The canonical SMILES for N-[1-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is CC1CCCCN1Cc1ccc(CNC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)cc1.

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

The InChIKey is MNNWUMBPJSBBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-21-8-5-6-16-31(21)20-24-14-12-23(13-15-24)19-29-27(32)25(18-22-9-3-2-4-10-22)30-28(33)26-11-7-17-34-26/h2-4,7,9-15,17,21,25H,5-6,8,16,18-20H2,1H3,(H,29,32)(H,30,33).

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

N-[1-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55708734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).