1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide

C19H31N5O3 — CID 56742115

IUPAC1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C2CCN(C(=O)C3=NNC(=O)CC3)CC2)CC1
InChIInChI=1S/C19H31N5O3/c1-13(2)20-18(26)14-5-9-23(10-6-14)15-7-11-24(12-8-15)19(27)16-3-4-17(25)22-21-16/h13-15H,3-12H2,1-2H3,(H,20,26)(H,22,25)
InChIKeyAOWFXOABBJPHHH-UHFFFAOYSA-N
MW377.49 g/mol
LogP0.48
Rot. Bonds4

About 1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide

1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 56742115) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID56742115
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C2CCN(C(=O)C3=NNC(=O)CC3)CC2)CC1
InChIInChI=1S/C19H31N5O3/c1-13(2)20-18(26)14-5-9-23(10-6-14)15-7-11-24(12-8-15)19(27)16-3-4-17(25)22-21-16/h13-15H,3-12H2,1-2H3,(H,20,26)(H,22,25)
InChIKeyAOWFXOABBJPHHH-UHFFFAOYSA-N
XLogP0.48
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide (CID 56742115) is 1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(C2CCN(C(=O)C3=NNC(=O)CC3)CC2)CC1.
What is the InChIKey of 1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is AOWFXOABBJPHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-13(2)20-18(26)14-5-9-23(10-6-14)15-7-11-24(12-8-15)19(27)16-3-4-17(25)22-21-16/h13-15H,3-12H2,1-2H3,(H,20,26)(H,22,25).
What are the key properties of 1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 56742115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).