benzyl 4-(6-oxo-3-phenyl-1H-pyridazin-5-yl)piperidine-1-carboxylate

C23H23N3O3 — CID 67438660

IUPACbenzyl 4-(6-oxo-3-phenyl-1H-pyridazin-5-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(c2cc(-c3ccccc3)n[nH]c2=O)CC1
InChIInChI=1S/C23H23N3O3/c27-22-20(15-21(24-25-22)19-9-5-2-6-10-19)18-11-13-26(14-12-18)23(28)29-16-17-7-3-1-4-8-17/h1-10,15,18H,11-14,16H2,(H,25,27)
InChIKeySQNZETCODIZWRX-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.95
Rot. Bonds4

About benzyl 4-(6-oxo-3-phenyl-1H-pyridazin-5-yl)piperidine-1-carboxylate

benzyl 4-(6-oxo-3-phenyl-1H-pyridazin-5-yl)piperidine-1-carboxylate (PubChem CID 67438660) has the molecular formula C23H23N3O3 and a molecular weight of 389.45 g/mol. Its IUPAC name is benzyl 4-(6-oxo-3-phenyl-1H-pyridazin-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(6-oxo-3-phenyl-1H-pyridazin-5-yl)piperidine-1-carboxylate
PubChem CID67438660
Molecular FormulaC23H23N3O3
Molecular Weight389.45 g/mol
Exact Mass389.17
IUPAC Namebenzyl 4-(6-oxo-3-phenyl-1H-pyridazin-5-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(c2cc(-c3ccccc3)n[nH]c2=O)CC1
InChIInChI=1S/C23H23N3O3/c27-22-20(15-21(24-25-22)19-9-5-2-6-10-19)18-11-13-26(14-12-18)23(28)29-16-17-7-3-1-4-8-17/h1-10,15,18H,11-14,16H2,(H,25,27)
InChIKeySQNZETCODIZWRX-UHFFFAOYSA-N
XLogP3.95
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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benzyl (3aS)-2-oxo-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate
CID 71214902
benzyl 4-(3-amino-2H-pyrrol-5-yl)piperidine-1-carboxylate
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benzyl 3-(4-fluorophenyl)pyrrolidine-1-carboxylate
CID 130472055
benzyl 4-[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidine-1-carboxylate
CID 164979886
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CID 19029125

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(6-oxo-3-phenyl-1H-pyridazin-5-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(6-oxo-3-phenyl-1H-pyridazin-5-yl)piperidine-1-carboxylate (CID 67438660) is benzyl 4-(6-oxo-3-phenyl-1H-pyridazin-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(6-oxo-3-phenyl-1H-pyridazin-5-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(6-oxo-3-phenyl-1H-pyridazin-5-yl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(c2cc(-c3ccccc3)n[nH]c2=O)CC1.
What is the InChIKey of benzyl 4-(6-oxo-3-phenyl-1H-pyridazin-5-yl)piperidine-1-carboxylate?
The InChIKey is SQNZETCODIZWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-22-20(15-21(24-25-22)19-9-5-2-6-10-19)18-11-13-26(14-12-18)23(28)29-16-17-7-3-1-4-8-17/h1-10,15,18H,11-14,16H2,(H,25,27).
What are the key properties of benzyl 4-(6-oxo-3-phenyl-1H-pyridazin-5-yl)piperidine-1-carboxylate?
benzyl 4-(6-oxo-3-phenyl-1H-pyridazin-5-yl)piperidine-1-carboxylate has a molecular weight of 389.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(6-oxo-3-phenyl-1H-pyridazin-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 67438660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).