1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]urea

C20H23F3N4O3 — CID 167928804

IUPAC1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]urea
SMILESO=C(NCc1cc2ccccc2[nH]c1=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1
InChIInChI=1S/C20H23F3N4O3/c21-20(22,23)8-7-17(28)27-9-3-5-15(12-27)25-19(30)24-11-14-10-13-4-1-2-6-16(13)26-18(14)29/h1-2,4,6,10,15H,3,5,7-9,11-12H2,(H,26,29)(H2,24,25,30)/t15-/m1/s1
InChIKeyRHBREGCYOQVEQX-OAHLLOKOSA-N
MW424.42 g/mol
LogP2.66
Rot. Bonds5

About 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]urea

1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]urea (PubChem CID 167928804) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]urea
PubChem CID167928804
Molecular FormulaC20H23F3N4O3
Molecular Weight424.42 g/mol
Exact Mass424.17
IUPAC Name1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]urea
SMILESO=C(NCc1cc2ccccc2[nH]c1=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1
InChIInChI=1S/C20H23F3N4O3/c21-20(22,23)8-7-17(28)27-9-3-5-15(12-27)25-19(30)24-11-14-10-13-4-1-2-6-16(13)26-18(14)29/h1-2,4,6,10,15H,3,5,7-9,11-12H2,(H,26,29)(H2,24,25,30)/t15-/m1/s1
InChIKeyRHBREGCYOQVEQX-OAHLLOKOSA-N
XLogP2.66
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]urea with MolForge

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Related Compounds

3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 124628242
1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110662673
1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324549
2-chloro-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]acetamide
CID 154856774
4-[(3R)-3-[(5-chloro-1H-indol-2-yl)methylcarbamoylamino]piperidin-1-yl]-4-oxobutanamide
CID 174357397
3-[3-[3-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110424560
N'-(3-bicyclo[3.3.1]nonanyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxamide
CID 167835459
3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one
CID 166270647
4,4,4-trifluoro-1-[(3R)-3-phenylazepan-1-yl]butan-1-one
CID 129355632
4-[[1-(2-phenylacetyl)piperidin-3-yl]carbamoylamino]butanoic acid
CID 122013601
(2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372066
1-[(5-amino-1H-indol-2-yl)methyl]-3-[(3R)-1-[2-(1,3-oxazol-4-yl)acetyl]piperidin-3-yl]urea
CID 174361485

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]urea?
The IUPAC name of 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]urea (CID 167928804) is 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]urea.
What is the SMILES notation for 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]urea?
The canonical SMILES for 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]urea is O=C(NCc1cc2ccccc2[nH]c1=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1.
What is the InChIKey of 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]urea?
The InChIKey is RHBREGCYOQVEQX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23F3N4O3/c21-20(22,23)8-7-17(28)27-9-3-5-15(12-27)25-19(30)24-11-14-10-13-4-1-2-6-16(13)26-18(14)29/h1-2,4,6,10,15H,3,5,7-9,11-12H2,(H,26,29)(H2,24,25,30)/t15-/m1/s1.
What are the key properties of 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]urea?
1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]urea has a molecular weight of 424.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]urea is sourced from PubChem (CID 167928804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).