3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea

C16H26N4O — CID 108894718

IUPAC3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C)C(=O)Nc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C16H26N4O/c1-18(2)14-7-5-13(6-8-14)17-16(21)20(4)15-9-11-19(3)12-10-15/h5-8,15H,9-12H2,1-4H3,(H,17,21)
InChIKeyYNJUBIMFWFDXII-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.31
Rot. Bonds3

About 3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea

3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea (PubChem CID 108894718) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
PubChem CID108894718
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C)C(=O)Nc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C16H26N4O/c1-18(2)14-7-5-13(6-8-14)17-16(21)20(4)15-9-11-19(3)12-10-15/h5-8,15H,9-12H2,1-4H3,(H,17,21)
InChIKeyYNJUBIMFWFDXII-UHFFFAOYSA-N
XLogP2.31
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 2095190
N-[3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]phenyl]acetamide
CID 108884073
3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108895704
3-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108873206
deuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea
CID 161217615
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 166280765
N-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507216
3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108867823
3-(4-aminophenyl)-1-cycloheptyl-1-methylurea
CID 43614356
N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944450
1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-iodophenyl)-1-methylurea
CID 20782245
1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61339495

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea (CID 108894718) is 3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea is CN1CCC(N(C)C(=O)Nc2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is YNJUBIMFWFDXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-18(2)14-7-5-13(6-8-14)17-16(21)20(4)15-9-11-19(3)12-10-15/h5-8,15H,9-12H2,1-4H3,(H,17,21).
What are the key properties of 3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea?
3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 290.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 108894718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).