2-phenylmethoxy-5-piperidin-1-yl-N-pyridazin-4-ylbenzamide

C23H24N4O2 — CID 155514319

IUPAC2-phenylmethoxy-5-piperidin-1-yl-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cc(N2CCCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C23H24N4O2/c28-23(26-19-11-12-24-25-16-19)21-15-20(27-13-5-2-6-14-27)9-10-22(21)29-17-18-7-3-1-4-8-18/h1,3-4,7-12,15-16H,2,5-6,13-14,17H2,(H,24,26,28)
InChIKeyKRBIFAYXNSUPPW-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.30
Rot. Bonds6

About 2-phenylmethoxy-5-piperidin-1-yl-N-pyridazin-4-ylbenzamide

2-phenylmethoxy-5-piperidin-1-yl-N-pyridazin-4-ylbenzamide (PubChem CID 155514319) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-phenylmethoxy-5-piperidin-1-yl-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name2-phenylmethoxy-5-piperidin-1-yl-N-pyridazin-4-ylbenzamide
PubChem CID155514319
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-phenylmethoxy-5-piperidin-1-yl-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cc(N2CCCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C23H24N4O2/c28-23(26-19-11-12-24-25-16-19)21-15-20(27-13-5-2-6-14-27)9-10-22(21)29-17-18-7-3-1-4-8-18/h1,3-4,7-12,15-16H,2,5-6,13-14,17H2,(H,24,26,28)
InChIKeyKRBIFAYXNSUPPW-UHFFFAOYSA-N
XLogP4.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-5-piperidin-1-yl-N-pyridazin-4-ylbenzamide?
The IUPAC name of 2-phenylmethoxy-5-piperidin-1-yl-N-pyridazin-4-ylbenzamide (CID 155514319) is 2-phenylmethoxy-5-piperidin-1-yl-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 2-phenylmethoxy-5-piperidin-1-yl-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 2-phenylmethoxy-5-piperidin-1-yl-N-pyridazin-4-ylbenzamide is O=C(Nc1ccnnc1)c1cc(N2CCCCC2)ccc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-5-piperidin-1-yl-N-pyridazin-4-ylbenzamide?
The InChIKey is KRBIFAYXNSUPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-23(26-19-11-12-24-25-16-19)21-15-20(27-13-5-2-6-14-27)9-10-22(21)29-17-18-7-3-1-4-8-18/h1,3-4,7-12,15-16H,2,5-6,13-14,17H2,(H,24,26,28).
What are the key properties of 2-phenylmethoxy-5-piperidin-1-yl-N-pyridazin-4-ylbenzamide?
2-phenylmethoxy-5-piperidin-1-yl-N-pyridazin-4-ylbenzamide has a molecular weight of 388.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-5-piperidin-1-yl-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 155514319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).