1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea

C20H22F3N3O2 — CID 71809702

IUPAC1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCOC1CCN(c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C20H22F3N3O2/c1-28-18-10-12-26(13-11-18)17-8-6-16(7-9-17)25-19(27)24-15-4-2-14(3-5-15)20(21,22)23/h2-9,18H,10-13H2,1H3,(H2,24,25,27)
InChIKeyWERSZNLCZYFWJN-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.96
Rot. Bonds4

About 1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea

1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 71809702) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID71809702
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCOC1CCN(c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C20H22F3N3O2/c1-28-18-10-12-26(13-11-18)17-8-6-16(7-9-17)25-19(27)24-15-4-2-14(3-5-15)20(21,22)23/h2-9,18H,10-13H2,1H3,(H2,24,25,27)
InChIKeyWERSZNLCZYFWJN-UHFFFAOYSA-N
XLogP4.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.96
H-Bond Donors ≤ 52
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-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121141464
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108992236
1-(1-adamantyl)-3-[4-(4-methoxypiperidin-1-yl)phenyl]urea
CID 90595914
N-[4-(4-methoxypiperidin-1-yl)phenyl]butanamide
CID 90595801
2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide
CID 90595833
2-[4-(4-methylpiperidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009809
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide
CID 90595819
N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 97427587
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595860
1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 2809988
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 58866968
1-[4-(3-methoxyazetidin-1-yl)phenyl]-3-phenylurea
CID 91814617

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 71809702) is 1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea is COC1CCN(c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of 1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is WERSZNLCZYFWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-28-18-10-12-26(13-11-18)17-8-6-16(7-9-17)25-19(27)24-15-4-2-14(3-5-15)20(21,22)23/h2-9,18H,10-13H2,1H3,(H2,24,25,27).
What are the key properties of 1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 393.41 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 71809702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).