N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide

C15H24N4O2 — CID 53202047

IUPACN-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C15H24N4O2/c1-3-4-7-18(2)15(21)12-5-8-19(9-6-12)13-10-14(20)17-16-11-13/h10-12H,3-9H2,1-2H3,(H,17,20)
InChIKeySDQSGONTPCZGSL-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.24
Rot. Bonds5

About N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide

N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202047) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202047
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C15H24N4O2/c1-3-4-7-18(2)15(21)12-5-8-19(9-6-12)13-10-14(20)17-16-11-13/h10-12H,3-9H2,1-2H3,(H,17,20)
InChIKeySDQSGONTPCZGSL-UHFFFAOYSA-N
XLogP1.24
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (CID 53202047) is N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is SDQSGONTPCZGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-4-7-18(2)15(21)12-5-8-19(9-6-12)13-10-14(20)17-16-11-13/h10-12H,3-9H2,1-2H3,(H,17,20).
What are the key properties of N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).