1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea

C15H21F3N4O2 — CID 47492178

IUPAC1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
SMILESCC1CCN(CCNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1
InChIInChI=1S/C15H21F3N4O2/c1-10-2-5-22(6-3-10)7-4-19-14(24)21-12-8-11(15(16,17)18)9-20-13(12)23/h8-10H,2-7H2,1H3,(H,20,23)(H2,19,21,24)
InChIKeyJOYLLYVWQCPICU-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.25
Rot. Bonds4

About 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea

1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea (PubChem CID 47492178) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea.

Molecular Properties

Compound Name1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
PubChem CID47492178
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
SMILESCC1CCN(CCNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1
InChIInChI=1S/C15H21F3N4O2/c1-10-2-5-22(6-3-10)7-4-19-14(24)21-12-8-11(15(16,17)18)9-20-13(12)23/h8-10H,2-7H2,1H3,(H,20,23)(H2,19,21,24)
InChIKeyJOYLLYVWQCPICU-UHFFFAOYSA-N
XLogP2.25
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The IUPAC name of 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea (CID 47492178) is 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea.
What is the SMILES notation for 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The canonical SMILES for 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea is CC1CCN(CCNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1.
What is the InChIKey of 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The InChIKey is JOYLLYVWQCPICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-10-2-5-22(6-3-10)7-4-19-14(24)21-12-8-11(15(16,17)18)9-20-13(12)23/h8-10H,2-7H2,1H3,(H,20,23)(H2,19,21,24).
What are the key properties of 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea has a molecular weight of 346.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea is sourced from PubChem (CID 47492178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).