1-[2-(4-methylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea

C17H24F3N3O — CID 16842056

IUPAC1-[2-(4-methylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCC1CCN(C(C)CNC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H24F3N3O/c1-12-7-9-23(10-8-12)13(2)11-21-16(24)22-15-6-4-3-5-14(15)17(18,19)20/h3-6,12-13H,7-11H2,1-2H3,(H2,21,22,24)
InChIKeyPRCNTEPSPZRYIO-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.95
Rot. Bonds4

About 1-[2-(4-methylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[2-(4-methylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 16842056) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[2-(4-methylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(4-methylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID16842056
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name1-[2-(4-methylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCC1CCN(C(C)CNC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H24F3N3O/c1-12-7-9-23(10-8-12)13(2)11-21-16(24)22-15-6-4-3-5-14(15)17(18,19)20/h3-6,12-13H,7-11H2,1-2H3,(H2,21,22,24)
InChIKeyPRCNTEPSPZRYIO-UHFFFAOYSA-N
XLogP3.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(4-methylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 16842056) is 1-[2-(4-methylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(4-methylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(4-methylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea is CC1CCN(C(C)CNC(=O)Nc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[2-(4-methylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is PRCNTEPSPZRYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O/c1-12-7-9-23(10-8-12)13(2)11-21-16(24)22-15-6-4-3-5-14(15)17(18,19)20/h3-6,12-13H,7-11H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[2-(4-methylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[2-(4-methylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 343.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 16842056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).