1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide

C23H30N4O2 — CID 53202291

IUPAC1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C23H30N4O2/c28-22-15-21(16-24-27(22)17-18-7-3-1-4-8-18)26-13-11-19(12-14-26)23(29)25-20-9-5-2-6-10-20/h1,3-4,7-8,15-16,19-20H,2,5-6,9-14,17H2,(H,25,29)
InChIKeyWLFXQQFTWZJYDM-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.96
Rot. Bonds5

About 1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide

1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide (PubChem CID 53202291) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide
PubChem CID53202291
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C23H30N4O2/c28-22-15-21(16-24-27(22)17-18-7-3-1-4-8-18)26-13-11-19(12-14-26)23(29)25-20-9-5-2-6-10-20/h1,3-4,7-8,15-16,19-20H,2,5-6,9-14,17H2,(H,25,29)
InChIKeyWLFXQQFTWZJYDM-UHFFFAOYSA-N
XLogP2.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide?
The IUPAC name of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide (CID 53202291) is 1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide is O=C(NC1CCCCC1)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1.
What is the InChIKey of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide?
The InChIKey is WLFXQQFTWZJYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c28-22-15-21(16-24-27(22)17-18-7-3-1-4-8-18)26-13-11-19(12-14-26)23(29)25-20-9-5-2-6-10-20/h1,3-4,7-8,15-16,19-20H,2,5-6,9-14,17H2,(H,25,29).
What are the key properties of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide?
1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide is sourced from PubChem (CID 53202291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).