1-phenyl-3-[2-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea

C18H19F3N4O — CID 2746388

IUPAC1-phenyl-3-[2-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea
SMILESO=C(Nc1ccccc1)Nc1cccnc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)13-8-11-25(12-9-13)16-15(7-4-10-22-16)24-17(26)23-14-5-2-1-3-6-14/h1-7,10,13H,8-9,11-12H2,(H2,23,24,26)
InChIKeyGSNWQTOSEWTDNZ-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.50
Rot. Bonds3

About 1-phenyl-3-[2-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea

1-phenyl-3-[2-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea (PubChem CID 2746388) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-phenyl-3-[2-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[2-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea
PubChem CID2746388
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name1-phenyl-3-[2-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea
SMILESO=C(Nc1ccccc1)Nc1cccnc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)13-8-11-25(12-9-13)16-15(7-4-10-22-16)24-17(26)23-14-5-2-1-3-6-14/h1-7,10,13H,8-9,11-12H2,(H2,23,24,26)
InChIKeyGSNWQTOSEWTDNZ-UHFFFAOYSA-N
XLogP4.50
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Jnj-17203212
CID 11339118
N-Phenyl-N'-2-pyridinylurea
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CID 3547487
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
2-N-phenylpyridine-2,3-diamine
CID 10679091
N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
CID 4566836
2-{4-[4-(3-Trifluoromethylphenyl)piperazin-1-yl]butyl}amino-4-phenylpyridine
CID 11584530
n-[6-(2-Fluorophenyl)-5-(3-fluoropyridin-4-yl)pyrazin-2-yl]cyclopropane-carboxamide
CID 53324032
4-amino-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56669090
N-(4-methylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carboxamide
CID 2741741
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4595252
1-Phenyl-3-pyrazin-2-ylurea
CID 5044232

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[2-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea?
The IUPAC name of 1-phenyl-3-[2-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea (CID 2746388) is 1-phenyl-3-[2-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea.
What is the SMILES notation for 1-phenyl-3-[2-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea?
The canonical SMILES for 1-phenyl-3-[2-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea is O=C(Nc1ccccc1)Nc1cccnc1N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-phenyl-3-[2-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea?
The InChIKey is GSNWQTOSEWTDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c19-18(20,21)13-8-11-25(12-9-13)16-15(7-4-10-22-16)24-17(26)23-14-5-2-1-3-6-14/h1-7,10,13H,8-9,11-12H2,(H2,23,24,26).
What are the key properties of 1-phenyl-3-[2-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea?
1-phenyl-3-[2-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea has a molecular weight of 364.37 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea is sourced from PubChem (CID 2746388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).