1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea

C17H22F3N3O3 — CID 71678005

IUPAC1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC(C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H22F3N3O3/c1-11(2)15(24)23-9-7-13(8-10-23)22-16(25)21-12-3-5-14(6-4-12)26-17(18,19)20/h3-6,11,13H,7-10H2,1-2H3,(H2,21,22,25)
InChIKeyHUQRFIVGTWYKFR-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.35
Rot. Bonds4

About 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 71678005) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID71678005
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC Name1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC(C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H22F3N3O3/c1-11(2)15(24)23-9-7-13(8-10-23)22-16(25)21-12-3-5-14(6-4-12)26-17(18,19)20/h3-6,11,13H,7-10H2,1-2H3,(H2,21,22,25)
InChIKeyHUQRFIVGTWYKFR-UHFFFAOYSA-N
XLogP3.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 71678005) is 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea is CC(C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is HUQRFIVGTWYKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O3/c1-11(2)15(24)23-9-7-13(8-10-23)22-16(25)21-12-3-5-14(6-4-12)26-17(18,19)20/h3-6,11,13H,7-10H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 373.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 71678005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).