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

C18H30N4O2 — CID 53202190

IUPACN-butyl-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(c2cnn(CCC)c(=O)c2)CC1
InChIInChI=1S/C18H30N4O2/c1-4-6-10-20(3)18(24)15-7-11-21(12-8-15)16-13-17(23)22(9-5-2)19-14-16/h13-15H,4-12H2,1-3H3
InChIKeyMGWLFDHYLUBLGQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.13
Rot. Bonds7

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

N-butyl-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202190) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-butyl-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202190
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-butyl-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(c2cnn(CCC)c(=O)c2)CC1
InChIInChI=1S/C18H30N4O2/c1-4-6-10-20(3)18(24)15-7-11-21(12-8-15)16-13-17(23)22(9-5-2)19-14-16/h13-15H,4-12H2,1-3H3
InChIKeyMGWLFDHYLUBLGQ-UHFFFAOYSA-N
XLogP2.13
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-2-buten-1-yl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 29023190
2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
2-methyl-5-{4-[(1-propionyl-3-piperidinyl)carbonyl]-1-piperazinyl}-3(2H)-pyridazinone
CID 72906911
5-{4-[(1-acetyl-3-piperidinyl)carbonyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 72924136
2-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-(pentan-3-YL)acetamide
CID 91907045
2-methyl-5-{3-[2-(4-methylpiperazino)-2-oxoethyl]piperidino}-3(2H)-pyridazinone
CID 91917387
2-Ethyl-5-{3-[2-(4-ethylpiperazin-1-YL)-2-oxoethyl]piperidin-1-YL}-2,3-dihydropyridazin-3-one
CID 91917457
N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202012
1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202016
4-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202026
N-cyclopentyl-1-(6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinecarboxamide
CID 53202029

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (CID 53202190) is N-butyl-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(c2cnn(CCC)c(=O)c2)CC1.
What is the InChIKey of N-butyl-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is MGWLFDHYLUBLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-4-6-10-20(3)18(24)15-7-11-21(12-8-15)16-13-17(23)22(9-5-2)19-14-16/h13-15H,4-12H2,1-3H3.
What are the key properties of N-butyl-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
N-butyl-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).