6-[1-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)piperidin-4-yl]oxy-N-methylpyridine-3-carboxamide

C29H38N4O3 — CID 58199187

About 6-[1-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)piperidin-4-yl]oxy-N-methylpyridine-3-carboxamide

6-[1-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)piperidin-4-yl]oxy-N-methylpyridine-3-carboxamide (PubChem CID 58199187) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is 6-[1-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)piperidin-4-yl]oxy-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[1-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)piperidin-4-yl]oxy-N-methylpyridine-3-carboxamide
• PubChem CID: 58199187
• Molecular Formula: C29H38N4O3
• Molecular Weight: 490.65 g/mol
• Exact Mass: 490.29
• IUPAC Name: 6-[1-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)piperidin-4-yl]oxy-N-methylpyridine-3-carboxamide
• SMILES: CNC(=O)c1ccc(OC2CCN(c3ccc4c(c3)CCC3(CCN(C5CCC5)CC3)O4)CC2)nc1
• InChI: InChI=1S/C29H38N4O3/c1-30-28(34)22-5-8-27(31-20-22)35-25-10-15-32(16-11-25)24-6-7-26-21(19-24)9-12-29(36-26)13-17-33(18-14-29)23-3-2-4-23/h5-8,19-20,23,25H,2-4,9-18H2,1H3,(H,30,34)
• InChIKey: NPHYXYQZMXXHFY-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 66.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.65
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)piperidin-4-yl]oxy-N-methylpyridine-3-carboxamide?

The IUPAC name of 6-[1-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)piperidin-4-yl]oxy-N-methylpyridine-3-carboxamide (CID 58199187) is 6-[1-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)piperidin-4-yl]oxy-N-methylpyridine-3-carboxamide.

What is the SMILES notation for 6-[1-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)piperidin-4-yl]oxy-N-methylpyridine-3-carboxamide?

The canonical SMILES for 6-[1-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)piperidin-4-yl]oxy-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(OC2CCN(c3ccc4c(c3)CCC3(CCN(C5CCC5)CC3)O4)CC2)nc1.

What is the InChIKey of 6-[1-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)piperidin-4-yl]oxy-N-methylpyridine-3-carboxamide?

The InChIKey is NPHYXYQZMXXHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O3/c1-30-28(34)22-5-8-27(31-20-22)35-25-10-15-32(16-11-25)24-6-7-26-21(19-24)9-12-29(36-26)13-17-33(18-14-29)23-3-2-4-23/h5-8,19-20,23,25H,2-4,9-18H2,1H3,(H,30,34).

What are the key properties of 6-[1-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)piperidin-4-yl]oxy-N-methylpyridine-3-carboxamide?

6-[1-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)piperidin-4-yl]oxy-N-methylpyridine-3-carboxamide has a molecular weight of 490.65 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)piperidin-4-yl]oxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 58199187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).