N-(3-ethoxypropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide

C15H24N4O3 — CID 53203777

IUPACN-(3-ethoxypropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESCCOCCCNC(=O)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C15H24N4O3/c1-2-22-8-4-6-16-15(21)12-5-3-7-19(11-12)13-9-14(20)18-17-10-13/h9-10,12H,2-8,11H2,1H3,(H,16,21)(H,18,20)
InChIKeyADBKDKDFUHRCHI-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.53
Rot. Bonds7

About N-(3-ethoxypropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide

N-(3-ethoxypropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 53203777) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
PubChem CID53203777
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-(3-ethoxypropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESCCOCCCNC(=O)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C15H24N4O3/c1-2-22-8-4-6-16-15(21)12-5-3-7-19(11-12)13-9-14(20)18-17-10-13/h9-10,12H,2-8,11H2,1H3,(H,16,21)(H,18,20)
InChIKeyADBKDKDFUHRCHI-UHFFFAOYSA-N
XLogP0.53
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.53
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 N-(3-ethoxypropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (CID 53203777) is N-(3-ethoxypropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is CCOCCCNC(=O)C1CCCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of N-(3-ethoxypropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is ADBKDKDFUHRCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-2-22-8-4-6-16-15(21)12-5-3-7-19(11-12)13-9-14(20)18-17-10-13/h9-10,12H,2-8,11H2,1H3,(H,16,21)(H,18,20).
What are the key properties of N-(3-ethoxypropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
N-(3-ethoxypropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53203777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).