1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide

C24H25ClN4O2 — CID 95069057

About 1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide

1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide (PubChem CID 95069057) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
• PubChem CID: 95069057
• Molecular Formula: C24H25ClN4O2
• Molecular Weight: 436.94 g/mol
• Exact Mass: 436.17
• IUPAC Name: 1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
• SMILES: C[C@H](NC(=O)C1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1)c1ccccc1
• InChI: InChI=1S/C24H25ClN4O2/c1-17(18-6-3-2-4-7-18)26-24(31)19-12-14-28(15-13-19)22-10-11-23(30)29(27-22)21-9-5-8-20(25)16-21/h2-11,16-17,19H,12-15H2,1H3,(H,26,31)/t17-/m0/s1
• InChIKey: YJCRCBKDRAYSEQ-KRWDZBQOSA-N
• XLogP: 3.98
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.94
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?

The IUPAC name of 1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide (CID 95069057) is 1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide is C[C@H](NC(=O)C1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1)c1ccccc1.

What is the InChIKey of 1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?

The InChIKey is YJCRCBKDRAYSEQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-17(18-6-3-2-4-7-18)26-24(31)19-12-14-28(15-13-19)22-10-11-23(30)29(27-22)21-9-5-8-20(25)16-21/h2-11,16-17,19H,12-15H2,1H3,(H,26,31)/t17-/m0/s1.

What are the key properties of 1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?

1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide has a molecular weight of 436.94 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 95069057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).