N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-[(1Z,3Z)-penta-1,3-dienyl]formamide

C31H38N4O2 — CID 166839178

About N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-[(1Z,3Z)-penta-1,3-dienyl]formamide

N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-[(1Z,3Z)-penta-1,3-dienyl]formamide (PubChem CID 166839178) has the molecular formula C31H38N4O2 and a molecular weight of 498.67 g/mol. Its IUPAC name is N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-[(1Z,3Z)-penta-1,3-dienyl]formamide.

Molecular Properties

• Compound Name: N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-[(1Z,3Z)-penta-1,3-dienyl]formamide
• PubChem CID: 166839178
• Molecular Formula: C31H38N4O2
• Molecular Weight: 498.67 g/mol
• Exact Mass: 498.30
• IUPAC Name: N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-[(1Z,3Z)-penta-1,3-dienyl]formamide
• SMILES: C/C=C\C=C/N(C=O)CC(=O)N1CCC(c2ccc3[nH]c(-c4cc(C)nc(C)c4)c(C(C)C)c3c2)CC1
• InChI: InChI=1S/C31H38N4O2/c1-6-7-8-13-34(20-36)19-29(37)35-14-11-24(12-15-35)25-9-10-28-27(18-25)30(21(2)3)31(33-28)26-16-22(4)32-23(5)17-26/h6-10,13,16-18,20-21,24,33H,11-12,14-15,19H2,1-5H3/b7-6-,13-8-
• InChIKey: VHTOWWGRGMWILN-DGOUITMESA-N
• XLogP: 6.22
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.67
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-[(1Z,3Z)-penta-1,3-dienyl]formamide?

The IUPAC name of N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-[(1Z,3Z)-penta-1,3-dienyl]formamide (CID 166839178) is N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-[(1Z,3Z)-penta-1,3-dienyl]formamide.

What is the SMILES notation for N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-[(1Z,3Z)-penta-1,3-dienyl]formamide?

The canonical SMILES for N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-[(1Z,3Z)-penta-1,3-dienyl]formamide is C/C=C\C=C/N(C=O)CC(=O)N1CCC(c2ccc3[nH]c(-c4cc(C)nc(C)c4)c(C(C)C)c3c2)CC1.

What is the InChIKey of N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-[(1Z,3Z)-penta-1,3-dienyl]formamide?

The InChIKey is VHTOWWGRGMWILN-DGOUITMESA-N. The full InChI is InChI=1S/C31H38N4O2/c1-6-7-8-13-34(20-36)19-29(37)35-14-11-24(12-15-35)25-9-10-28-27(18-25)30(21(2)3)31(33-28)26-16-22(4)32-23(5)17-26/h6-10,13,16-18,20-21,24,33H,11-12,14-15,19H2,1-5H3/b7-6-,13-8-.

What are the key properties of N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-[(1Z,3Z)-penta-1,3-dienyl]formamide?

N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-[(1Z,3Z)-penta-1,3-dienyl]formamide has a molecular weight of 498.67 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-[(1Z,3Z)-penta-1,3-dienyl]formamide is sourced from PubChem (CID 166839178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).