N-(4-cyanophenyl)-4-[[4-[4-[[4-[4-[[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-ylidene]-phenylmethyl]phenyl]phenyl]-[1-[(4-propan-2-yloxyphenyl)carbamoyl]piperidin-4-ylidene]methyl]phenyl]phenyl]-phenylmethylidene]piperidine-1-carboxamide

C81H77N7O6 — CID 123831105

About N-(4-cyanophenyl)-4-[[4-[4-[[4-[4-[[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-ylidene]-phenylmethyl]phenyl]phenyl]-[1-[(4-propan-2-yloxyphenyl)carbamoyl]piperidin-4-ylidene]methyl]phenyl]phenyl]-phenylmethylidene]piperidine-1-carboxamide

N-(4-cyanophenyl)-4-[[4-[4-[[4-[4-[[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-ylidene]-phenylmethyl]phenyl]phenyl]-[1-[(4-propan-2-yloxyphenyl)carbamoyl]piperidin-4-ylidene]methyl]phenyl]phenyl]-phenylmethylidene]piperidine-1-carboxamide (PubChem CID 123831105) has the molecular formula C81H77N7O6 and a molecular weight of 1244.55 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-[[4-[4-[[4-[4-[[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-ylidene]-phenylmethyl]phenyl]phenyl]-[1-[(4-propan-2-yloxyphenyl)carbamoyl]piperidin-4-ylidene]methyl]phenyl]phenyl]-phenylmethylidene]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(4-cyanophenyl)-4-[[4-[4-[[4-[4-[[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-ylidene]-phenylmethyl]phenyl]phenyl]-[1-[(4-propan-2-yloxyphenyl)carbamoyl]piperidin-4-ylidene]methyl]phenyl]phenyl]-phenylmethylidene]piperidine-1-carboxamide
• PubChem CID: 123831105
• Molecular Formula: C81H77N7O6
• Molecular Weight: 1244.55 g/mol
• Exact Mass: 1243.59
• IUPAC Name: N-(4-cyanophenyl)-4-[[4-[4-[[4-[4-[[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-ylidene]-phenylmethyl]phenyl]phenyl]-[1-[(4-propan-2-yloxyphenyl)carbamoyl]piperidin-4-ylidene]methyl]phenyl]phenyl]-phenylmethylidene]piperidine-1-carboxamide
• SMILES: COc1ccc(NC(=O)N2CCC(=C(c3ccccc3)c3ccc(-c4ccc(C(=C5CCN(C(=O)Nc6ccc(OC(C)C)cc6)CC5)c5ccc(-c6ccc(C(=C7CCN(C(=O)Nc8ccc(C#N)cc8)CC7)c7ccccc7)cc6)cc5)cc4)cc3)CC2)c(OC)c1
• InChI: InChI=1S/C81H77N7O6/c1-55(2)94-72-37-35-71(36-38-72)84-80(90)87-49-43-69(44-50-87)78(65-29-21-59(22-30-65)57-17-25-63(26-18-57)76(61-11-7-5-8-12-61)67-41-47-86(48-42-67)79(89)83-70-33-15-56(54-82)16-34-70)66-31-23-60(24-32-66)58-19-27-64(28-20-58)77(62-13-9-6-10-14-62)68-45-51-88(52-46-68)81(91)85-74-40-39-73(92-3)53-75(74)93-4/h5-40,53,55H,41-52H2,1-4H3,(H,83,89)(H,84,90)(H,85,91)
• InChIKey: BJBSMSPATOZAKA-UHFFFAOYSA-N
• XLogP: 18.09
• TPSA: 148.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1244.55
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-[[4-[4-[[4-[4-[[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-ylidene]-phenylmethyl]phenyl]phenyl]-[1-[(4-propan-2-yloxyphenyl)carbamoyl]piperidin-4-ylidene]methyl]phenyl]phenyl]-phenylmethylidene]piperidine-1-carboxamide?

The IUPAC name of N-(4-cyanophenyl)-4-[[4-[4-[[4-[4-[[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-ylidene]-phenylmethyl]phenyl]phenyl]-[1-[(4-propan-2-yloxyphenyl)carbamoyl]piperidin-4-ylidene]methyl]phenyl]phenyl]-phenylmethylidene]piperidine-1-carboxamide (CID 123831105) is N-(4-cyanophenyl)-4-[[4-[4-[[4-[4-[[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-ylidene]-phenylmethyl]phenyl]phenyl]-[1-[(4-propan-2-yloxyphenyl)carbamoyl]piperidin-4-ylidene]methyl]phenyl]phenyl]-phenylmethylidene]piperidine-1-carboxamide.

What is the SMILES notation for N-(4-cyanophenyl)-4-[[4-[4-[[4-[4-[[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-ylidene]-phenylmethyl]phenyl]phenyl]-[1-[(4-propan-2-yloxyphenyl)carbamoyl]piperidin-4-ylidene]methyl]phenyl]phenyl]-phenylmethylidene]piperidine-1-carboxamide?

The canonical SMILES for N-(4-cyanophenyl)-4-[[4-[4-[[4-[4-[[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-ylidene]-phenylmethyl]phenyl]phenyl]-[1-[(4-propan-2-yloxyphenyl)carbamoyl]piperidin-4-ylidene]methyl]phenyl]phenyl]-phenylmethylidene]piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(=C(c3ccccc3)c3ccc(-c4ccc(C(=C5CCN(C(=O)Nc6ccc(OC(C)C)cc6)CC5)c5ccc(-c6ccc(C(=C7CCN(C(=O)Nc8ccc(C#N)cc8)CC7)c7ccccc7)cc6)cc5)cc4)cc3)CC2)c(OC)c1.

What is the InChIKey of N-(4-cyanophenyl)-4-[[4-[4-[[4-[4-[[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-ylidene]-phenylmethyl]phenyl]phenyl]-[1-[(4-propan-2-yloxyphenyl)carbamoyl]piperidin-4-ylidene]methyl]phenyl]phenyl]-phenylmethylidene]piperidine-1-carboxamide?

The InChIKey is BJBSMSPATOZAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H77N7O6/c1-55(2)94-72-37-35-71(36-38-72)84-80(90)87-49-43-69(44-50-87)78(65-29-21-59(22-30-65)57-17-25-63(26-18-57)76(61-11-7-5-8-12-61)67-41-47-86(48-42-67)79(89)83-70-33-15-56(54-82)16-34-70)66-31-23-60(24-32-66)58-19-27-64(28-20-58)77(62-13-9-6-10-14-62)68-45-51-88(52-46-68)81(91)85-74-40-39-73(92-3)53-75(74)93-4/h5-40,53,55H,41-52H2,1-4H3,(H,83,89)(H,84,90)(H,85,91).

What are the key properties of N-(4-cyanophenyl)-4-[[4-[4-[[4-[4-[[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-ylidene]-phenylmethyl]phenyl]phenyl]-[1-[(4-propan-2-yloxyphenyl)carbamoyl]piperidin-4-ylidene]methyl]phenyl]phenyl]-phenylmethylidene]piperidine-1-carboxamide?

N-(4-cyanophenyl)-4-[[4-[4-[[4-[4-[[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-ylidene]-phenylmethyl]phenyl]phenyl]-[1-[(4-propan-2-yloxyphenyl)carbamoyl]piperidin-4-ylidene]methyl]phenyl]phenyl]-phenylmethylidene]piperidine-1-carboxamide has a molecular weight of 1244.55 g/mol, XLogP of 18.09, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-cyanophenyl)-4-[[4-[4-[[4-[4-[[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-ylidene]-phenylmethyl]phenyl]phenyl]-[1-[(4-propan-2-yloxyphenyl)carbamoyl]piperidin-4-ylidene]methyl]phenyl]phenyl]-phenylmethylidene]piperidine-1-carboxamide is sourced from PubChem (CID 123831105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).