1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea

C18H22F3N3O3 — CID 118409074

IUPAC1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C18H22F3N3O3/c19-18(20,21)13-1-3-14(4-2-13)22-17(26)23-15-5-8-24(9-6-15)16(25)12-7-10-27-11-12/h1-4,12,15H,5-11H2,(H2,22,23,26)
InChIKeyMZXUPAAYJURXJP-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.85
Rot. Bonds3

About 1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 118409074) has the molecular formula C18H22F3N3O3 and a molecular weight of 385.39 g/mol. Its IUPAC name is 1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID118409074
Molecular FormulaC18H22F3N3O3
Molecular Weight385.39 g/mol
Exact Mass385.16
IUPAC Name1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C18H22F3N3O3/c19-18(20,21)13-1-3-14(4-2-13)22-17(26)23-15-5-8-24(9-6-15)16(25)12-7-10-27-11-12/h1-4,12,15H,5-11H2,(H2,22,23,26)
InChIKeyMZXUPAAYJURXJP-UHFFFAOYSA-N
XLogP2.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea (CID 118409074) is 1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)C2CCOC2)CC1.
What is the InChIKey of 1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is MZXUPAAYJURXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O3/c19-18(20,21)13-1-3-14(4-2-13)22-17(26)23-15-5-8-24(9-6-15)16(25)12-7-10-27-11-12/h1-4,12,15H,5-11H2,(H2,22,23,26).
What are the key properties of 1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 385.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 118409074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).