N-[(1R,2R)-2-methoxy-1'-[3-(1-methylpyrazol-4-yl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide

C25H32N4O3 — CID 91939940

About N-[(1R,2R)-2-methoxy-1'-[3-(1-methylpyrazol-4-yl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide

N-[(1R,2R)-2-methoxy-1'-[3-(1-methylpyrazol-4-yl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide (PubChem CID 91939940) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxy-1'-[3-(1-methylpyrazol-4-yl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-2-methoxy-1'-[3-(1-methylpyrazol-4-yl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
• PubChem CID: 91939940
• Molecular Formula: C25H32N4O3
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.25
• IUPAC Name: N-[(1R,2R)-2-methoxy-1'-[3-(1-methylpyrazol-4-yl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
• SMILES: CO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CCN(C(=O)C=Cc1cnn(C)c1)CC2
• InChI: InChI=1S/C25H32N4O3/c1-17(2)24(31)27-22-19-7-5-6-8-20(19)25(23(22)32-4)11-13-29(14-12-25)21(30)10-9-18-15-26-28(3)16-18/h5-10,15-17,22-23H,11-14H2,1-4H3,(H,27,31)/t22-,23+/m1/s1
• InChIKey: YESCAEBXWVMWIK-PKTZIBPZSA-N
• XLogP: 2.84
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxy-1'-[3-(1-methylpyrazol-4-yl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?

The IUPAC name of N-[(1R,2R)-2-methoxy-1'-[3-(1-methylpyrazol-4-yl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide (CID 91939940) is N-[(1R,2R)-2-methoxy-1'-[3-(1-methylpyrazol-4-yl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide.

What is the SMILES notation for N-[(1R,2R)-2-methoxy-1'-[3-(1-methylpyrazol-4-yl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?

The canonical SMILES for N-[(1R,2R)-2-methoxy-1'-[3-(1-methylpyrazol-4-yl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide is CO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CCN(C(=O)C=Cc1cnn(C)c1)CC2.

What is the InChIKey of N-[(1R,2R)-2-methoxy-1'-[3-(1-methylpyrazol-4-yl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?

The InChIKey is YESCAEBXWVMWIK-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-17(2)24(31)27-22-19-7-5-6-8-20(19)25(23(22)32-4)11-13-29(14-12-25)21(30)10-9-18-15-26-28(3)16-18/h5-10,15-17,22-23H,11-14H2,1-4H3,(H,27,31)/t22-,23+/m1/s1.

What are the key properties of N-[(1R,2R)-2-methoxy-1'-[3-(1-methylpyrazol-4-yl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?

N-[(1R,2R)-2-methoxy-1'-[3-(1-methylpyrazol-4-yl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide has a molecular weight of 436.56 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-2-methoxy-1'-[3-(1-methylpyrazol-4-yl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide is sourced from PubChem (CID 91939940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).