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

C18H22F3N3O4 — CID 118409164

IUPAC1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C18H22F3N3O4/c19-18(20,21)28-15-3-1-13(2-4-15)22-17(26)23-14-5-8-24(9-6-14)16(25)12-7-10-27-11-12/h1-4,12,14H,5-11H2,(H2,22,23,26)
InChIKeyZKPYTUBYBQCEMB-UHFFFAOYSA-N
MW401.39 g/mol
LogP2.73
Rot. Bonds4

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

1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 118409164) has the molecular formula C18H22F3N3O4 and a molecular weight of 401.39 g/mol. Its IUPAC name is 1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID118409164
Molecular FormulaC18H22F3N3O4
Molecular Weight401.39 g/mol
Exact Mass401.16
IUPAC Name1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C18H22F3N3O4/c19-18(20,21)28-15-3-1-13(2-4-15)22-17(26)23-14-5-8-24(9-6-14)16(25)12-7-10-27-11-12/h1-4,12,14H,5-11H2,(H2,22,23,26)
InChIKeyZKPYTUBYBQCEMB-UHFFFAOYSA-N
XLogP2.73
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Trifluoromethoxyphenyl-3-(1-propionylpiperidine-4-yl)urea
CID 44142782
EC-5026
CID 91933845
Arylaminoethyl amide deriv. 23
CID 23648396
3-(1-Acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]urea
CID 25093352
1-(1-(Cyclopropanecarbonyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 45888834
1-(1-((4-Acetylpiperazin-1-yl)acetyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 49780366
1-(1-(Trifluoroacetyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 49780367
1-(4-Phenoxyphenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783004
1-[1-(Furan-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696183
8-(2-ethylbutanoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 71566538
1-(1-Isobutyrylpiperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 71678005
1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 71679327

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 118409164) is 1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)C2CCOC2)CC1.
What is the InChIKey of 1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is ZKPYTUBYBQCEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O4/c19-18(20,21)28-15-3-1-13(2-4-15)22-17(26)23-14-5-8-24(9-6-14)16(25)12-7-10-27-11-12/h1-4,12,14H,5-11H2,(H2,22,23,26).
What are the key properties of 1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 401.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 118409164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).