1-(1-ethylpiperidin-3-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea

C14H19F3N4O2 — CID 47491759

IUPAC1-(1-ethylpiperidin-3-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
SMILESCCN1CCCC(NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1
InChIInChI=1S/C14H19F3N4O2/c1-2-21-5-3-4-10(8-21)19-13(23)20-11-6-9(14(15,16)17)7-18-12(11)22/h6-7,10H,2-5,8H2,1H3,(H,18,22)(H2,19,20,23)
InChIKeyICBPMTWPXMTBRE-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.00
Rot. Bonds3

About 1-(1-ethylpiperidin-3-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea

1-(1-ethylpiperidin-3-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea (PubChem CID 47491759) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
PubChem CID47491759
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name1-(1-ethylpiperidin-3-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
SMILESCCN1CCCC(NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1
InChIInChI=1S/C14H19F3N4O2/c1-2-21-5-3-4-10(8-21)19-13(23)20-11-6-9(14(15,16)17)7-18-12(11)22/h6-7,10H,2-5,8H2,1H3,(H,18,22)(H2,19,20,23)
InChIKeyICBPMTWPXMTBRE-UHFFFAOYSA-N
XLogP2.00
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea (CID 47491759) is 1-(1-ethylpiperidin-3-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea is CCN1CCCC(NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The InChIKey is ICBPMTWPXMTBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-2-21-5-3-4-10(8-21)19-13(23)20-11-6-9(14(15,16)17)7-18-12(11)22/h6-7,10H,2-5,8H2,1H3,(H,18,22)(H2,19,20,23).
What are the key properties of 1-(1-ethylpiperidin-3-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
1-(1-ethylpiperidin-3-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea has a molecular weight of 332.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea is sourced from PubChem (CID 47491759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).