1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

C17H28N4O3 — CID 53202084

IUPAC1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C17H28N4O3/c1-13(2)24-10-4-7-18-17(23)14-5-8-21(9-6-14)15-11-16(22)20(3)19-12-15/h11-14H,4-10H2,1-3H3,(H,18,23)
InChIKeyKFLYUPGGBRVHSW-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.93
Rot. Bonds7

About 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (PubChem CID 53202084) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
PubChem CID53202084
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C17H28N4O3/c1-13(2)24-10-4-7-18-17(23)14-5-8-21(9-6-14)15-11-16(22)20(3)19-12-15/h11-14H,4-10H2,1-3H3,(H,18,23)
InChIKeyKFLYUPGGBRVHSW-UHFFFAOYSA-N
XLogP0.93
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.93
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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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-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-(pentan-3-YL)acetamide
CID 91907045
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
N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202047
N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202052
N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202079
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 53202089
N-cyclopropyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202100
N-[(1-Ethylpyrrolidin-2-YL)methyl]-1-(1-methyl-6-oxo-16-dihydropyridazin-4-YL)piperidine-4-carboxamide
CID 53202102

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (CID 53202084) is 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is CC(C)OCCCNC(=O)C1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The InChIKey is KFLYUPGGBRVHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-13(2)24-10-4-7-18-17(23)14-5-8-21(9-6-14)15-11-16(22)20(3)19-12-15/h11-14H,4-10H2,1-3H3,(H,18,23).
What are the key properties of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 53202084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).