N-(2-methoxyethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

C16H26N4O3 — CID 53202193

IUPACN-(2-methoxyethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCCOC)CC2)cc1=O
InChIInChI=1S/C16H26N4O3/c1-3-7-20-15(21)11-14(12-18-20)19-8-4-13(5-9-19)16(22)17-6-10-23-2/h11-13H,3-10H2,1-2H3,(H,17,22)
InChIKeyBRQZDLOVVMLEMB-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.63
Rot. Bonds7

About N-(2-methoxyethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

N-(2-methoxyethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202193) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202193
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-(2-methoxyethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCCOC)CC2)cc1=O
InChIInChI=1S/C16H26N4O3/c1-3-7-20-15(21)11-14(12-18-20)19-8-4-13(5-9-19)16(22)17-6-10-23-2/h11-13H,3-10H2,1-2H3,(H,17,22)
InChIKeyBRQZDLOVVMLEMB-UHFFFAOYSA-N
XLogP0.63
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.63
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 N-(2-methoxyethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (CID 53202193) is N-(2-methoxyethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is CCCn1ncc(N2CCC(C(=O)NCCOC)CC2)cc1=O.
What is the InChIKey of N-(2-methoxyethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is BRQZDLOVVMLEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-3-7-20-15(21)11-14(12-18-20)19-8-4-13(5-9-19)16(22)17-6-10-23-2/h11-13H,3-10H2,1-2H3,(H,17,22).
What are the key properties of N-(2-methoxyethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
N-(2-methoxyethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).