1-(1-benzylpiperidin-4-yl)-3-(5,6-dimethylpyridazin-3-yl)urea

C19H25N5O — CID 56793006

IUPAC1-(1-benzylpiperidin-4-yl)-3-(5,6-dimethylpyridazin-3-yl)urea
SMILESCc1cc(NC(=O)NC2CCN(Cc3ccccc3)CC2)nnc1C
InChIInChI=1S/C19H25N5O/c1-14-12-18(23-22-15(14)2)21-19(25)20-17-8-10-24(11-9-17)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H2,20,21,23,25)
InChIKeyOJTKRDIAXNVXRG-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.88
Rot. Bonds4

About 1-(1-benzylpiperidin-4-yl)-3-(5,6-dimethylpyridazin-3-yl)urea

1-(1-benzylpiperidin-4-yl)-3-(5,6-dimethylpyridazin-3-yl)urea (PubChem CID 56793006) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(5,6-dimethylpyridazin-3-yl)urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(5,6-dimethylpyridazin-3-yl)urea
PubChem CID56793006
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(5,6-dimethylpyridazin-3-yl)urea
SMILESCc1cc(NC(=O)NC2CCN(Cc3ccccc3)CC2)nnc1C
InChIInChI=1S/C19H25N5O/c1-14-12-18(23-22-15(14)2)21-19(25)20-17-8-10-24(11-9-17)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H2,20,21,23,25)
InChIKeyOJTKRDIAXNVXRG-UHFFFAOYSA-N
XLogP2.88
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812787
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea
CID 23825400
1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea
CID 108813846
1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2,4,6-trimethylphenyl)urea
CID 47049556
1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea
CID 23852464
1-(1-benzylpiperidin-4-yl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42695642
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea
CID 23905235
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(5,6-dimethylpyridazin-3-yl)urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(5,6-dimethylpyridazin-3-yl)urea (CID 56793006) is 1-(1-benzylpiperidin-4-yl)-3-(5,6-dimethylpyridazin-3-yl)urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(5,6-dimethylpyridazin-3-yl)urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(5,6-dimethylpyridazin-3-yl)urea is Cc1cc(NC(=O)NC2CCN(Cc3ccccc3)CC2)nnc1C.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(5,6-dimethylpyridazin-3-yl)urea?
The InChIKey is OJTKRDIAXNVXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-12-18(23-22-15(14)2)21-19(25)20-17-8-10-24(11-9-17)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H2,20,21,23,25).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(5,6-dimethylpyridazin-3-yl)urea?
1-(1-benzylpiperidin-4-yl)-3-(5,6-dimethylpyridazin-3-yl)urea has a molecular weight of 339.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(5,6-dimethylpyridazin-3-yl)urea is sourced from PubChem (CID 56793006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).