N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;formic acid

C28H35N5O5 — CID 175941802

About N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;formic acid

N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;formic acid (PubChem CID 175941802) has the molecular formula C28H35N5O5 and a molecular weight of 521.62 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;formic acid.

Molecular Properties

• Compound Name: N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;formic acid
• PubChem CID: 175941802
• Molecular Formula: C28H35N5O5
• Molecular Weight: 521.62 g/mol
• Exact Mass: 521.26
• IUPAC Name: N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;formic acid
• SMILES: COc1ccc(-c2noc(N3CCC(C(=O)NCC4(N(C)C)Cc5ccccc5C4)CC3)n2)cc1.O=CO
• InChI: InChI=1S/C27H33N5O3.CH2O2/c1-31(2)27(16-21-6-4-5-7-22(21)17-27)18-28-25(33)20-12-14-32(15-13-20)26-29-24(30-35-26)19-8-10-23(34-3)11-9-19;2-1-3/h4-11,20H,12-18H2,1-3H3,(H,28,33);1H,(H,2,3)
• InChIKey: ZAIJZICQUVFBCO-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 121.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.62
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;formic acid?

The IUPAC name of N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;formic acid (CID 175941802) is N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;formic acid.

What is the SMILES notation for N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;formic acid?

The canonical SMILES for N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;formic acid is COc1ccc(-c2noc(N3CCC(C(=O)NCC4(N(C)C)Cc5ccccc5C4)CC3)n2)cc1.O=CO.

What is the InChIKey of N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;formic acid?

The InChIKey is ZAIJZICQUVFBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3.CH2O2/c1-31(2)27(16-21-6-4-5-7-22(21)17-27)18-28-25(33)20-12-14-32(15-13-20)26-29-24(30-35-26)19-8-10-23(34-3)11-9-19;2-1-3/h4-11,20H,12-18H2,1-3H3,(H,28,33);1H,(H,2,3).

What are the key properties of N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;formic acid?

N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;formic acid has a molecular weight of 521.62 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;formic acid is sourced from PubChem (CID 175941802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).