N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-3-yl]-2-phenylbenzamide;N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxy-5-methoxybenzoyl)piperidin-4-ylidene]acetamide

C59H59F2N5O5 — CID 159264199

About N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-3-yl]-2-phenylbenzamide;N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxy-5-methoxybenzoyl)piperidin-4-ylidene]acetamide

N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-3-yl]-2-phenylbenzamide;N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxy-5-methoxybenzoyl)piperidin-4-ylidene]acetamide (PubChem CID 159264199) has the molecular formula C59H59F2N5O5 and a molecular weight of 956.15 g/mol. Its IUPAC name is N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-3-yl]-2-phenylbenzamide;N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxy-5-methoxybenzoyl)piperidin-4-ylidene]acetamide.

Molecular Properties

• Compound Name: N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-3-yl]-2-phenylbenzamide;N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxy-5-methoxybenzoyl)piperidin-4-ylidene]acetamide
• PubChem CID: 159264199
• Molecular Formula: C59H59F2N5O5
• Molecular Weight: 956.15 g/mol
• Exact Mass: 955.45
• IUPAC Name: N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-3-yl]-2-phenylbenzamide;N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxy-5-methoxybenzoyl)piperidin-4-ylidene]acetamide
• SMILES: COc1ccc(O)c(C(=O)N2CCC(=CC(=O)NC3CCN(Cc4ccc5cc(F)ccc5c4)C3)CC2)c1.O=C(NC1CCCN(Cc2ccc3cc(F)ccc3c2)C1)c1ccccc1-c1ccccc1
• InChI: InChI=1S/C30H32FN3O4.C29H27FN2O/c1-38-26-6-7-28(35)27(17-26)30(37)34-12-8-20(9-13-34)15-29(36)32-25-10-11-33(19-25)18-21-2-3-23-16-24(31)5-4-22(23)14-21;30-25-15-14-23-17-21(12-13-24(23)18-25)19-32-16-6-9-26(20-32)31-29(33)28-11-5-4-10-27(28)22-7-2-1-3-8-22/h2-7,14-17,25,35H,8-13,18-19H2,1H3,(H,32,36);1-5,7-8,10-15,17-18,26H,6,9,16,19-20H2,(H,31,33)
• InChIKey: KWWVBJPFPRRTJM-UHFFFAOYSA-N
• XLogP: 10.29
• TPSA: 114.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	956.15
LogP ≤ 5	10.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-3-yl]-2-phenylbenzamide;N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxy-5-methoxybenzoyl)piperidin-4-ylidene]acetamide?

The IUPAC name of N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-3-yl]-2-phenylbenzamide;N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxy-5-methoxybenzoyl)piperidin-4-ylidene]acetamide (CID 159264199) is N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-3-yl]-2-phenylbenzamide;N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxy-5-methoxybenzoyl)piperidin-4-ylidene]acetamide.

What is the SMILES notation for N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-3-yl]-2-phenylbenzamide;N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxy-5-methoxybenzoyl)piperidin-4-ylidene]acetamide?

The canonical SMILES for N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-3-yl]-2-phenylbenzamide;N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxy-5-methoxybenzoyl)piperidin-4-ylidene]acetamide is COc1ccc(O)c(C(=O)N2CCC(=CC(=O)NC3CCN(Cc4ccc5cc(F)ccc5c4)C3)CC2)c1.O=C(NC1CCCN(Cc2ccc3cc(F)ccc3c2)C1)c1ccccc1-c1ccccc1.

What is the InChIKey of N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-3-yl]-2-phenylbenzamide;N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxy-5-methoxybenzoyl)piperidin-4-ylidene]acetamide?

The InChIKey is KWWVBJPFPRRTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O4.C29H27FN2O/c1-38-26-6-7-28(35)27(17-26)30(37)34-12-8-20(9-13-34)15-29(36)32-25-10-11-33(19-25)18-21-2-3-23-16-24(31)5-4-22(23)14-21;30-25-15-14-23-17-21(12-13-24(23)18-25)19-32-16-6-9-26(20-32)31-29(33)28-11-5-4-10-27(28)22-7-2-1-3-8-22/h2-7,14-17,25,35H,8-13,18-19H2,1H3,(H,32,36);1-5,7-8,10-15,17-18,26H,6,9,16,19-20H2,(H,31,33).

What are the key properties of N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-3-yl]-2-phenylbenzamide;N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxy-5-methoxybenzoyl)piperidin-4-ylidene]acetamide?

N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-3-yl]-2-phenylbenzamide;N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxy-5-methoxybenzoyl)piperidin-4-ylidene]acetamide has a molecular weight of 956.15 g/mol, XLogP of 10.29, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-3-yl]-2-phenylbenzamide;N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxy-5-methoxybenzoyl)piperidin-4-ylidene]acetamide is sourced from PubChem (CID 159264199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).