1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium

C13H18N3OY- — CID 59803141

IUPAC1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium
SMILES[CH2-]N1CCC(NC(=O)Nc2ccccc2)CC1.[Y]
InChIInChI=1S/C13H18N3O.Y/c1-16-9-7-12(8-10-16)15-13(17)14-11-5-3-2-4-6-11;/h2-6,12H,1,7-10H2,(H2,14,15,17);/q-1;
InChIKeyPTOKEELDTZIAQM-UHFFFAOYSA-N
MW321.21 g/mol
LogP2.06
Rot. Bonds2

About 1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium

1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium (PubChem CID 59803141) has the molecular formula C13H18N3OY- and a molecular weight of 321.21 g/mol. Its IUPAC name is 1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium.

Molecular Properties

Compound Name1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium
PubChem CID59803141
Molecular FormulaC13H18N3OY-
Molecular Weight321.21 g/mol
Exact Mass321.05
IUPAC Name1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium
SMILES[CH2-]N1CCC(NC(=O)Nc2ccccc2)CC1.[Y]
InChIInChI=1S/C13H18N3O.Y/c1-16-9-7-12(8-10-16)15-13(17)14-11-5-3-2-4-6-11;/h2-6,12H,1,7-10H2,(H2,14,15,17);/q-1;
InChIKeyPTOKEELDTZIAQM-UHFFFAOYSA-N
XLogP2.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083323
1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea
CID 71855491
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
1-(azetidin-3-yl)-3-phenylurea
CID 66185847
1-(1-phenylpiperidin-4-yl)-3-[4-(triazol-2-yl)phenyl]urea
CID 86830732
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
CID 47815472
1-(1-methylazetidin-3-yl)-3-phenylurea
CID 70794092
1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea
CID 119304245
1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea
CID 86834895
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479

Frequently Asked Questions

What is the IUPAC name of 1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium?
The IUPAC name of 1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium (CID 59803141) is 1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium.
What is the SMILES notation for 1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium?
The canonical SMILES for 1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium is [CH2-]N1CCC(NC(=O)Nc2ccccc2)CC1.[Y].
What is the InChIKey of 1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium?
The InChIKey is PTOKEELDTZIAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N3O.Y/c1-16-9-7-12(8-10-16)15-13(17)14-11-5-3-2-4-6-11;/h2-6,12H,1,7-10H2,(H2,14,15,17);/q-1;.
What are the key properties of 1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium?
1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium has a molecular weight of 321.21 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium is sourced from PubChem (CID 59803141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).