1-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea

C19H20F3N3O3 — CID 118409089

IUPAC1-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1occc1C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H20F3N3O3/c1-12-16(8-11-28-12)17(26)25-9-6-15(7-10-25)24-18(27)23-14-4-2-13(3-5-14)19(20,21)22/h2-5,8,11,15H,6-7,9-10H2,1H3,(H2,23,24,27)
InChIKeyXVVKIKYRNROXOE-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.03
Rot. Bonds3

About 1-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 118409089) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 1-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID118409089
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name1-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1occc1C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H20F3N3O3/c1-12-16(8-11-28-12)17(26)25-9-6-15(7-10-25)24-18(27)23-14-4-2-13(3-5-14)19(20,21)22/h2-5,8,11,15H,6-7,9-10H2,1H3,(H2,23,24,27)
InChIKeyXVVKIKYRNROXOE-UHFFFAOYSA-N
XLogP4.03
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

YM 218
CID 9917025
3-Furanylfentanyl
CID 13653684
Arylaminoethyl amide deriv. 18
CID 11305867
1-[1-(Furan-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696183
8-(2-methylfuran-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72376214
1-[1-(3-Methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 118409083
1-[1-(2-Methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 118409140
(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 1911770
N-[4-[(5E)-5-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethylidene]-4,4-difluoro-2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide
CID 44314134
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 2558565
2,5-dimethyl-N-(2-morpholinophenyl)-3-furamide
CID 2811740
N-(4-fluorophenyl)-1-(2-methyl-3-furoyl)-3-piperidinamine
CID 24817365

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea (CID 118409089) is 1-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea is Cc1occc1C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is XVVKIKYRNROXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-12-16(8-11-28-12)17(26)25-9-6-15(7-10-25)24-18(27)23-14-4-2-13(3-5-14)19(20,21)22/h2-5,8,11,15H,6-7,9-10H2,1H3,(H2,23,24,27).
What are the key properties of 1-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 395.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 118409089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).