1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea

C19H20F3N3O — CID 108992547

IUPAC1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea
SMILESCC1CCN(c2ccc(NC(=O)Nc3ccc(F)c(F)c3F)cc2)CC1
InChIInChI=1S/C19H20F3N3O/c1-12-8-10-25(11-9-12)14-4-2-13(3-5-14)23-19(26)24-16-7-6-15(20)17(21)18(16)22/h2-7,12H,8-11H2,1H3,(H2,23,24,26)
InChIKeyXMEQNZNITNHZIK-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.98
Rot. Bonds3

About 1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea

1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea (PubChem CID 108992547) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is 1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea
PubChem CID108992547
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea
SMILESCC1CCN(c2ccc(NC(=O)Nc3ccc(F)c(F)c3F)cc2)CC1
InChIInChI=1S/C19H20F3N3O/c1-12-8-10-25(11-9-12)14-4-2-13(3-5-14)23-19(26)24-16-7-6-15(20)17(21)18(16)22/h2-7,12H,8-11H2,1H3,(H2,23,24,26)
InChIKeyXMEQNZNITNHZIK-UHFFFAOYSA-N
XLogP4.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991879
methyl 2-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzoate
CID 108992322
N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987647
1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992011
N-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108527759
1-(2-cyanophenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992543
N-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108956501
2-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 18078449
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108992532
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108992236
2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60719278
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea (CID 108992547) is 1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea is CC1CCN(c2ccc(NC(=O)Nc3ccc(F)c(F)c3F)cc2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is XMEQNZNITNHZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-12-8-10-25(11-9-12)14-4-2-13(3-5-14)23-19(26)24-16-7-6-15(20)17(21)18(16)22/h2-7,12H,8-11H2,1H3,(H2,23,24,26).
What are the key properties of 1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea?
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 363.38 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 108992547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).