N-(3-methoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide

C15H24N4O3 — CID 53203912

IUPACN-(3-methoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C15H24N4O3/c1-18-14(20)9-13(10-17-18)19-7-3-5-12(11-19)15(21)16-6-4-8-22-2/h9-10,12H,3-8,11H2,1-2H3,(H,16,21)
InChIKeyRXFRIOQKIBLQST-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.15
Rot. Bonds6

About N-(3-methoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide

N-(3-methoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 53203912) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
PubChem CID53203912
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-(3-methoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C15H24N4O3/c1-18-14(20)9-13(10-17-18)19-7-3-5-12(11-19)15(21)16-6-4-8-22-2/h9-10,12H,3-8,11H2,1-2H3,(H,16,21)
InChIKeyRXFRIOQKIBLQST-UHFFFAOYSA-N
XLogP0.15
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.15
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-(3-methoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (CID 53203912) is N-(3-methoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is COCCCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of N-(3-methoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is RXFRIOQKIBLQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-18-14(20)9-13(10-17-18)19-7-3-5-12(11-19)15(21)16-6-4-8-22-2/h9-10,12H,3-8,11H2,1-2H3,(H,16,21).
What are the key properties of N-(3-methoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
N-(3-methoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53203912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).