N-[1-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]piperidin-4-yl]-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]oxybenzamide

C32H39N5O2 — CID 89260620

About N-[1-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]piperidin-4-yl]-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]oxybenzamide

N-[1-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]piperidin-4-yl]-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]oxybenzamide (PubChem CID 89260620) has the molecular formula C32H39N5O2 and a molecular weight of 525.70 g/mol. Its IUPAC name is N-[1-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]piperidin-4-yl]-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]oxybenzamide.

Molecular Properties

• Compound Name: N-[1-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]piperidin-4-yl]-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]oxybenzamide
• PubChem CID: 89260620
• Molecular Formula: C32H39N5O2
• Molecular Weight: 525.70 g/mol
• Exact Mass: 525.31
• IUPAC Name: N-[1-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]piperidin-4-yl]-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]oxybenzamide
• SMILES: C=C(/C=C\C=C/N)CN1CCC(NC(=O)c2ccc(OC3CCN(Cc4ccc(C#N)cc4)CC3)cc2)CC1
• InChI: InChI=1S/C32H39N5O2/c1-25(4-2-3-17-33)23-36-18-13-29(14-19-36)35-32(38)28-9-11-30(12-10-28)39-31-15-20-37(21-16-31)24-27-7-5-26(22-34)6-8-27/h2-12,17,29,31H,1,13-16,18-21,23-24,33H2,(H,35,38)/b4-2-,17-3-
• InChIKey: KOAGJFAPBBUHJT-XOXLSKNZSA-N
• XLogP: 4.38
• TPSA: 94.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.70
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]piperidin-4-yl]-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]oxybenzamide?

The IUPAC name of N-[1-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]piperidin-4-yl]-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]oxybenzamide (CID 89260620) is N-[1-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]piperidin-4-yl]-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]oxybenzamide.

What is the SMILES notation for N-[1-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]piperidin-4-yl]-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]oxybenzamide?

The canonical SMILES for N-[1-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]piperidin-4-yl]-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]oxybenzamide is C=C(/C=C\C=C/N)CN1CCC(NC(=O)c2ccc(OC3CCN(Cc4ccc(C#N)cc4)CC3)cc2)CC1.

What is the InChIKey of N-[1-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]piperidin-4-yl]-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]oxybenzamide?

The InChIKey is KOAGJFAPBBUHJT-XOXLSKNZSA-N. The full InChI is InChI=1S/C32H39N5O2/c1-25(4-2-3-17-33)23-36-18-13-29(14-19-36)35-32(38)28-9-11-30(12-10-28)39-31-15-20-37(21-16-31)24-27-7-5-26(22-34)6-8-27/h2-12,17,29,31H,1,13-16,18-21,23-24,33H2,(H,35,38)/b4-2-,17-3-.

What are the key properties of N-[1-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]piperidin-4-yl]-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]oxybenzamide?

N-[1-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]piperidin-4-yl]-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]oxybenzamide has a molecular weight of 525.70 g/mol, XLogP of 4.38, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]piperidin-4-yl]-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 89260620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).