1-(2-fluoro-4-methylphenyl)-3-[1-[4-(2-hydroxypentan-3-yl)phenyl]-2-oxopiperidin-3-yl]urea

C24H30FN3O3 — CID 142493574

IUPAC1-(2-fluoro-4-methylphenyl)-3-[1-[4-(2-hydroxypentan-3-yl)phenyl]-2-oxopiperidin-3-yl]urea
SMILESCCC(c1ccc(N2CCCC(NC(=O)Nc3ccc(C)cc3F)C2=O)cc1)C(C)O
InChIInChI=1S/C24H30FN3O3/c1-4-19(16(3)29)17-8-10-18(11-9-17)28-13-5-6-22(23(28)30)27-24(31)26-21-12-7-15(2)14-20(21)25/h7-12,14,16,19,22,29H,4-6,13H2,1-3H3,(H2,26,27,31)
InChIKeyMSGGJTXQHUOCMP-UHFFFAOYSA-N
MW427.52 g/mol
LogP4.33
Rot. Bonds6

About 1-(2-fluoro-4-methylphenyl)-3-[1-[4-(2-hydroxypentan-3-yl)phenyl]-2-oxopiperidin-3-yl]urea

1-(2-fluoro-4-methylphenyl)-3-[1-[4-(2-hydroxypentan-3-yl)phenyl]-2-oxopiperidin-3-yl]urea (PubChem CID 142493574) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-3-[1-[4-(2-hydroxypentan-3-yl)phenyl]-2-oxopiperidin-3-yl]urea.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-3-[1-[4-(2-hydroxypentan-3-yl)phenyl]-2-oxopiperidin-3-yl]urea
PubChem CID142493574
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC Name1-(2-fluoro-4-methylphenyl)-3-[1-[4-(2-hydroxypentan-3-yl)phenyl]-2-oxopiperidin-3-yl]urea
SMILESCCC(c1ccc(N2CCCC(NC(=O)Nc3ccc(C)cc3F)C2=O)cc1)C(C)O
InChIInChI=1S/C24H30FN3O3/c1-4-19(16(3)29)17-8-10-18(11-9-17)28-13-5-6-22(23(28)30)27-24(31)26-21-12-7-15(2)14-20(21)25/h7-12,14,16,19,22,29H,4-6,13H2,1-3H3,(H2,26,27,31)
InChIKeyMSGGJTXQHUOCMP-UHFFFAOYSA-N
XLogP4.33
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-methylphenyl)-3-[1-[4-(3-hydroxycyclopentyl)phenyl]-2-oxopiperidin-3-yl]urea
CID 142493573
1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 96566181
1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 167807431
1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea
CID 163572506
1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95269169
1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[4-[3-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxopiperidin-3-yl]urea
CID 129227154
1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
CID 47132817
1-cyclohexyl-3-(2-fluoro-4-methylphenyl)urea
CID 47103760
2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride
CID 119336545
1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea
CID 144685819
1-[(3R)-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]-2-oxopiperidin-3-yl]-3-(2-fluorophenyl)urea
CID 154971473
N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111333977

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-[1-[4-(2-hydroxypentan-3-yl)phenyl]-2-oxopiperidin-3-yl]urea?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-[1-[4-(2-hydroxypentan-3-yl)phenyl]-2-oxopiperidin-3-yl]urea (CID 142493574) is 1-(2-fluoro-4-methylphenyl)-3-[1-[4-(2-hydroxypentan-3-yl)phenyl]-2-oxopiperidin-3-yl]urea.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-3-[1-[4-(2-hydroxypentan-3-yl)phenyl]-2-oxopiperidin-3-yl]urea?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-3-[1-[4-(2-hydroxypentan-3-yl)phenyl]-2-oxopiperidin-3-yl]urea is CCC(c1ccc(N2CCCC(NC(=O)Nc3ccc(C)cc3F)C2=O)cc1)C(C)O.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-3-[1-[4-(2-hydroxypentan-3-yl)phenyl]-2-oxopiperidin-3-yl]urea?
The InChIKey is MSGGJTXQHUOCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3/c1-4-19(16(3)29)17-8-10-18(11-9-17)28-13-5-6-22(23(28)30)27-24(31)26-21-12-7-15(2)14-20(21)25/h7-12,14,16,19,22,29H,4-6,13H2,1-3H3,(H2,26,27,31).
What are the key properties of 1-(2-fluoro-4-methylphenyl)-3-[1-[4-(2-hydroxypentan-3-yl)phenyl]-2-oxopiperidin-3-yl]urea?
1-(2-fluoro-4-methylphenyl)-3-[1-[4-(2-hydroxypentan-3-yl)phenyl]-2-oxopiperidin-3-yl]urea has a molecular weight of 427.52 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-3-[1-[4-(2-hydroxypentan-3-yl)phenyl]-2-oxopiperidin-3-yl]urea is sourced from PubChem (CID 142493574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).