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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).