[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea

C13H17F3N4O2 — CID 175914079

IUPAC[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea
SMILESCN1CCC(Oc2ncc(NC(N)=O)cc2C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N4O2/c1-20-4-2-9(3-5-20)22-11-10(13(14,15)16)6-8(7-18-11)19-12(17)21/h6-7,9H,2-5H2,1H3,(H3,17,19,21)
InChIKeyVLFJXEFQKRUVAL-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.06
Rot. Bonds3

About [6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea

[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 175914079) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is [6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID175914079
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC Name[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea
SMILESCN1CCC(Oc2ncc(NC(N)=O)cc2C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N4O2/c1-20-4-2-9(3-5-20)22-11-10(13(14,15)16)6-8(7-18-11)19-12(17)21/h6-7,9H,2-5H2,1H3,(H3,17,19,21)
InChIKeyVLFJXEFQKRUVAL-UHFFFAOYSA-N
XLogP2.06
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-3-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea
CID 166090559
N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide
CID 146178430
N-[5-cyano-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134609919
phenyl N-[6-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 146178030
1-[4-chloro-3-(1-methylpiperidin-4-yl)oxyphenyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea
CID 44533356
6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431454
1-ethyl-3-[5-[5-(hydrazinecarbonyl)-2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
CID 67289022
[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 57495356
[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 60704273
1-(4-bromo-1,2-benzoxazol-7-yl)-3-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]urea
CID 171091085
1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
CID 165142556
1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
CID 167957425

Frequently Asked Questions

What is the IUPAC name of [6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of [6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea (CID 175914079) is [6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea.
What is the SMILES notation for [6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for [6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea is CN1CCC(Oc2ncc(NC(N)=O)cc2C(F)(F)F)CC1.
What is the InChIKey of [6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is VLFJXEFQKRUVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c1-20-4-2-9(3-5-20)22-11-10(13(14,15)16)6-8(7-18-11)19-12(17)21/h6-7,9H,2-5H2,1H3,(H3,17,19,21).
What are the key properties of [6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea?
[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 318.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 175914079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).