1-(2,2-dimethylpropyl)-3-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]urea

C16H27N5O3 — CID 110821499

IUPAC1-(2,2-dimethylpropyl)-3-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]urea
SMILESCC(C)(C)CNC(=O)NC1CCN(C(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C16H27N5O3/c1-16(2,3)10-17-15(24)18-11-6-8-21(9-7-11)14(23)12-4-5-13(22)20-19-12/h11H,4-10H2,1-3H3,(H,20,22)(H2,17,18,24)
InChIKeyWYTNHVKNAYPOIU-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.59
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-3-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]urea

1-(2,2-dimethylpropyl)-3-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]urea (PubChem CID 110821499) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]urea
PubChem CID110821499
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name1-(2,2-dimethylpropyl)-3-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]urea
SMILESCC(C)(C)CNC(=O)NC1CCN(C(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C16H27N5O3/c1-16(2,3)10-17-15(24)18-11-6-8-21(9-7-11)14(23)12-4-5-13(22)20-19-12/h11H,4-10H2,1-3H3,(H,20,22)(H2,17,18,24)
InChIKeyWYTNHVKNAYPOIU-UHFFFAOYSA-N
XLogP0.59
TPSA102.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-dimethylpropyl)-3-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]urea with MolForge

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Related Compounds

N-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110821459
N-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 110821472
1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821123
1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 110820103
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
3-(1,4-thiazepane-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 60775995
3-(3-hydroxyazetidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 63106781
3-(4-hydroxy-4-methylazepane-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 107406289
N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 4881394
1-(2,2-dimethylpropyl)-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 110823075
3-chloro-N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 131903503
N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide
CID 131945303

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]urea (CID 110821499) is 1-(2,2-dimethylpropyl)-3-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]urea is CC(C)(C)CNC(=O)NC1CCN(C(=O)C2=NNC(=O)CC2)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]urea?
The InChIKey is WYTNHVKNAYPOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-16(2,3)10-17-15(24)18-11-6-8-21(9-7-11)14(23)12-4-5-13(22)20-19-12/h11H,4-10H2,1-3H3,(H,20,22)(H2,17,18,24).
What are the key properties of 1-(2,2-dimethylpropyl)-3-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]urea?
1-(2,2-dimethylpropyl)-3-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]urea has a molecular weight of 337.42 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 110821499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).