1-(4-aminophenyl)-1-methyl-3-(1-methylpiperidin-4-yl)urea

C14H22N4O — CID 69068951

IUPAC1-(4-aminophenyl)-1-methyl-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(NC(=O)N(C)c2ccc(N)cc2)CC1
InChIInChI=1S/C14H22N4O/c1-17-9-7-12(8-10-17)16-14(19)18(2)13-5-3-11(15)4-6-13/h3-6,12H,7-10,15H2,1-2H3,(H,16,19)
InChIKeyXJOBMRKDTRNBJI-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.51
Rot. Bonds2

About 1-(4-aminophenyl)-1-methyl-3-(1-methylpiperidin-4-yl)urea

1-(4-aminophenyl)-1-methyl-3-(1-methylpiperidin-4-yl)urea (PubChem CID 69068951) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(4-aminophenyl)-1-methyl-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-1-methyl-3-(1-methylpiperidin-4-yl)urea
PubChem CID69068951
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-(4-aminophenyl)-1-methyl-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(NC(=O)N(C)c2ccc(N)cc2)CC1
InChIInChI=1S/C14H22N4O/c1-17-9-7-12(8-10-17)16-14(19)18(2)13-5-3-11(15)4-6-13/h3-6,12H,7-10,15H2,1-2H3,(H,16,19)
InChIKeyXJOBMRKDTRNBJI-UHFFFAOYSA-N
XLogP1.51
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-1-methyl-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-(4-aminophenyl)-1-methyl-3-(1-methylpiperidin-4-yl)urea (CID 69068951) is 1-(4-aminophenyl)-1-methyl-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(4-aminophenyl)-1-methyl-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-(4-aminophenyl)-1-methyl-3-(1-methylpiperidin-4-yl)urea is CN1CCC(NC(=O)N(C)c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-1-methyl-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is XJOBMRKDTRNBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-9-7-12(8-10-17)16-14(19)18(2)13-5-3-11(15)4-6-13/h3-6,12H,7-10,15H2,1-2H3,(H,16,19).
What are the key properties of 1-(4-aminophenyl)-1-methyl-3-(1-methylpiperidin-4-yl)urea?
1-(4-aminophenyl)-1-methyl-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 262.36 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-1-methyl-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 69068951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).