1-(6-oxo-1H-pyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide

C16H26N4O3 — CID 53203765

IUPAC1-(6-oxo-1H-pyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C16H26N4O3/c1-12(2)23-8-4-6-17-16(22)13-5-3-7-20(11-13)14-9-15(21)19-18-10-14/h9-10,12-13H,3-8,11H2,1-2H3,(H,17,22)(H,19,21)
InChIKeySGELKFLKRJKAIV-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.92
Rot. Bonds7

About 1-(6-oxo-1H-pyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide

1-(6-oxo-1H-pyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (PubChem CID 53203765) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
PubChem CID53203765
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-(6-oxo-1H-pyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C16H26N4O3/c1-12(2)23-8-4-6-17-16(22)13-5-3-7-20(11-13)14-9-15(21)19-18-10-14/h9-10,12-13H,3-8,11H2,1-2H3,(H,17,22)(H,19,21)
InChIKeySGELKFLKRJKAIV-UHFFFAOYSA-N
XLogP0.92
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (CID 53203765) is 1-(6-oxo-1H-pyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-oxo-1H-pyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-oxo-1H-pyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is CC(C)OCCCNC(=O)C1CCCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of 1-(6-oxo-1H-pyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The InChIKey is SGELKFLKRJKAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-12(2)23-8-4-6-17-16(22)13-5-3-7-20(11-13)14-9-15(21)19-18-10-14/h9-10,12-13H,3-8,11H2,1-2H3,(H,17,22)(H,19,21).
What are the key properties of 1-(6-oxo-1H-pyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
1-(6-oxo-1H-pyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 53203765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).