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

C19H32N4O3 — CID 53202153

IUPAC1-(6-oxo-1-propylpyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCCCOC(C)C)CC2)cc1=O
InChIInChI=1S/C19H32N4O3/c1-4-9-23-18(24)13-17(14-21-23)22-10-6-16(7-11-22)19(25)20-8-5-12-26-15(2)3/h13-16H,4-12H2,1-3H3,(H,20,25)
InChIKeyUTGLLLZNDKZJGT-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.80
Rot. Bonds9

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

1-(6-oxo-1-propylpyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (PubChem CID 53202153) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(6-oxo-1-propylpyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1-propylpyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
PubChem CID53202153
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name1-(6-oxo-1-propylpyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCCCOC(C)C)CC2)cc1=O
InChIInChI=1S/C19H32N4O3/c1-4-9-23-18(24)13-17(14-21-23)22-10-6-16(7-11-22)19(25)20-8-5-12-26-15(2)3/h13-16H,4-12H2,1-3H3,(H,20,25)
InChIKeyUTGLLLZNDKZJGT-UHFFFAOYSA-N
XLogP1.80
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-1-propylpyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-oxo-1-propylpyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (CID 53202153) is 1-(6-oxo-1-propylpyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-oxo-1-propylpyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-oxo-1-propylpyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is CCCn1ncc(N2CCC(C(=O)NCCCOC(C)C)CC2)cc1=O.
What is the InChIKey of 1-(6-oxo-1-propylpyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The InChIKey is UTGLLLZNDKZJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-4-9-23-18(24)13-17(14-21-23)22-10-6-16(7-11-22)19(25)20-8-5-12-26-15(2)3/h13-16H,4-12H2,1-3H3,(H,20,25).
What are the key properties of 1-(6-oxo-1-propylpyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
1-(6-oxo-1-propylpyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1-propylpyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 53202153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).