1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]urea

C17H19F4N3O2 — CID 118409175

IUPAC1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)c(F)c1)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H19F4N3O2/c18-14-9-12(3-4-13(14)17(19,20)21)23-16(26)22-11-5-7-24(8-6-11)15(25)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H2,22,23,26)
InChIKeyIIGBRXYVEOEPDV-UHFFFAOYSA-N
MW373.35 g/mol
LogP3.37
Rot. Bonds3

About 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]urea

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]urea (PubChem CID 118409175) has the molecular formula C17H19F4N3O2 and a molecular weight of 373.35 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]urea
PubChem CID118409175
Molecular FormulaC17H19F4N3O2
Molecular Weight373.35 g/mol
Exact Mass373.14
IUPAC Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)c(F)c1)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H19F4N3O2/c18-14-9-12(3-4-13(14)17(19,20)21)23-16(26)22-11-5-7-24(8-6-11)15(25)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H2,22,23,26)
InChIKeyIIGBRXYVEOEPDV-UHFFFAOYSA-N
XLogP3.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-Methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24898133
1-(1-Propionylpiperidin-4-yl)-3-m-tolylurea
CID 49782798
1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
CID 49782799
1-[1-(3-Methyl-butyryl)-piperidin-4-yl]-3-(4-trifluoromethyl-phenyl)-urea
CID 24899522
1-(1-Cyclopropanecarbonylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 45889074
1-(4-Perfluoroisopropylphenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49780161
1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 49783427
1-(1-(3,3,3-Trifluoropropionyl)piperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 56971637
1-(1-(2-Methylbutyryl)piperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 56971639
1-[4-(Trifluoromethyl)phenyl]-3-[1-[(S)-2-methylbutyryl]-4-piperidinyl]urea
CID 71680510
US10377744, Syn34
CID 118395981
Ethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 118396004

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]urea (CID 118409175) is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)c(F)c1)NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]urea?
The InChIKey is IIGBRXYVEOEPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F4N3O2/c18-14-9-12(3-4-13(14)17(19,20)21)23-16(26)22-11-5-7-24(8-6-11)15(25)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H2,22,23,26).
What are the key properties of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]urea?
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]urea has a molecular weight of 373.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 118409175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).