3,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one

C17H28N4O2 — CID 56820100

IUPAC3,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2CCC(CN(C)C(C)C)CC2)c1C
InChIInChI=1S/C17H28N4O2/c1-11(2)20(5)10-14-6-8-21(9-7-14)17(23)15-12(3)13(4)18-19-16(15)22/h11,14H,6-10H2,1-5H3,(H,19,22)
InChIKeyYFTIQLPDCWKWQJ-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.58
Rot. Bonds4

About 3,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one

3,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 56820100) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID56820100
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2CCC(CN(C)C(C)C)CC2)c1C
InChIInChI=1S/C17H28N4O2/c1-11(2)20(5)10-14-6-8-21(9-7-14)17(23)15-12(3)13(4)18-19-16(15)22/h11,14H,6-10H2,1-5H3,(H,19,22)
InChIKeyYFTIQLPDCWKWQJ-UHFFFAOYSA-N
XLogP1.58
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 56165385
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CID 56812423
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CID 56814015
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CID 60759383
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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one (CID 56820100) is 3,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one is Cc1n[nH]c(=O)c(C(=O)N2CCC(CN(C)C(C)C)CC2)c1C.
What is the InChIKey of 3,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is YFTIQLPDCWKWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-11(2)20(5)10-14-6-8-21(9-7-14)17(23)15-12(3)13(4)18-19-16(15)22/h11,14H,6-10H2,1-5H3,(H,19,22).
What are the key properties of 3,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
3,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 320.44 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 56820100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).