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

C17H28N4O2 — CID 53202201

IUPACN-methyl-1-(6-oxo-1-propylpyridazin-4-yl)-N-propylpiperidine-4-carboxamide
SMILESCCCN(C)C(=O)C1CCN(c2cnn(CCC)c(=O)c2)CC1
InChIInChI=1S/C17H28N4O2/c1-4-8-19(3)17(23)14-6-10-20(11-7-14)15-12-16(22)21(9-5-2)18-13-15/h12-14H,4-11H2,1-3H3
InChIKeyVQRFQJZMNYCHCT-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.74
Rot. Bonds6

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

N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)-N-propylpiperidine-4-carboxamide (PubChem CID 53202201) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(6-oxo-1-propylpyridazin-4-yl)-N-propylpiperidine-4-carboxamide
PubChem CID53202201
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-methyl-1-(6-oxo-1-propylpyridazin-4-yl)-N-propylpiperidine-4-carboxamide
SMILESCCCN(C)C(=O)C1CCN(c2cnn(CCC)c(=O)c2)CC1
InChIInChI=1S/C17H28N4O2/c1-4-8-19(3)17(23)14-6-10-20(11-7-14)15-12-16(22)21(9-5-2)18-13-15/h12-14H,4-11H2,1-3H3
InChIKeyVQRFQJZMNYCHCT-UHFFFAOYSA-N
XLogP1.74
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)-N-propylpiperidine-4-carboxamide (CID 53202201) is N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)-N-propylpiperidine-4-carboxamide is CCCN(C)C(=O)C1CCN(c2cnn(CCC)c(=O)c2)CC1.
What is the InChIKey of N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)-N-propylpiperidine-4-carboxamide?
The InChIKey is VQRFQJZMNYCHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-8-19(3)17(23)14-6-10-20(11-7-14)15-12-16(22)21(9-5-2)18-13-15/h12-14H,4-11H2,1-3H3.
What are the key properties of N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)-N-propylpiperidine-4-carboxamide?
N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)-N-propylpiperidine-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 53202201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).