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

C17H28N4O2 — CID 53202213

IUPACN-butyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2cnn(CCC)c(=O)c2)CC1
InChIInChI=1S/C17H28N4O2/c1-3-5-8-18-17(23)14-6-10-20(11-7-14)15-12-16(22)21(9-4-2)19-13-15/h12-14H,3-11H2,1-2H3,(H,18,23)
InChIKeyHYCCOPXJZQHJRH-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.79
Rot. Bonds7

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

N-butyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202213) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-butyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202213
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-butyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2cnn(CCC)c(=O)c2)CC1
InChIInChI=1S/C17H28N4O2/c1-3-5-8-18-17(23)14-6-10-20(11-7-14)15-12-16(22)21(9-4-2)19-13-15/h12-14H,3-11H2,1-2H3,(H,18,23)
InChIKeyHYCCOPXJZQHJRH-UHFFFAOYSA-N
XLogP1.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}-4-piperidinecarboxamide
CID 56891455
2-methoxy-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}butanamide
CID 70726045
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
1-isopropyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-L-prolinamide
CID 70780050
2-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-(pentan-3-YL)acetamide
CID 91907045
4-[3-[2-(azepan-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 91917369
N-Cyclopropyl-2-{1-[1-(cyclopropylmethyl)-6-oxo-16-dihydropyridazin-4-YL]piperidin-3-YL}acetamide
CID 91917542
1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 53203878
N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]pentanamide
CID 91924008
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

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (CID 53202213) is N-butyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is CCCCNC(=O)C1CCN(c2cnn(CCC)c(=O)c2)CC1.
What is the InChIKey of N-butyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is HYCCOPXJZQHJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-5-8-18-17(23)14-6-10-20(11-7-14)15-12-16(22)21(9-4-2)19-13-15/h12-14H,3-11H2,1-2H3,(H,18,23).
What are the key properties of N-butyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
N-butyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).