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

C24H28FN3O3 — CID 142493573

IUPAC1-(2-fluoro-4-methylphenyl)-3-[1-[4-(3-hydroxycyclopentyl)phenyl]-2-oxopiperidin-3-yl]urea
SMILESCc1ccc(NC(=O)NC2CCCN(c3ccc(C4CCC(O)C4)cc3)C2=O)c(F)c1
InChIInChI=1S/C24H28FN3O3/c1-15-4-11-21(20(25)13-15)26-24(31)27-22-3-2-12-28(23(22)30)18-8-5-16(6-9-18)17-7-10-19(29)14-17/h4-6,8-9,11,13,17,19,22,29H,2-3,7,10,12,14H2,1H3,(H2,26,27,31)
InChIKeyKEUYGYFWQRDHDK-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.08
Rot. Bonds4

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

1-(2-fluoro-4-methylphenyl)-3-[1-[4-(3-hydroxycyclopentyl)phenyl]-2-oxopiperidin-3-yl]urea (PubChem CID 142493573) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-3-[1-[4-(3-hydroxycyclopentyl)phenyl]-2-oxopiperidin-3-yl]urea.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-3-[1-[4-(3-hydroxycyclopentyl)phenyl]-2-oxopiperidin-3-yl]urea
PubChem CID142493573
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name1-(2-fluoro-4-methylphenyl)-3-[1-[4-(3-hydroxycyclopentyl)phenyl]-2-oxopiperidin-3-yl]urea
SMILESCc1ccc(NC(=O)NC2CCCN(c3ccc(C4CCC(O)C4)cc3)C2=O)c(F)c1
InChIInChI=1S/C24H28FN3O3/c1-15-4-11-21(20(25)13-15)26-24(31)27-22-3-2-12-28(23(22)30)18-8-5-16(6-9-18)17-7-10-19(29)14-17/h4-6,8-9,11,13,17,19,22,29H,2-3,7,10,12,14H2,1H3,(H2,26,27,31)
InChIKeyKEUYGYFWQRDHDK-UHFFFAOYSA-N
XLogP4.08
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluoro-4-methylphenyl)-3-[1-[4-(3-hydroxycyclopentyl)phenyl]-2-oxopiperidin-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-4-methylphenyl)-3-[1-[4-(2-hydroxypentan-3-yl)phenyl]-2-oxopiperidin-3-yl]urea
CID 142493574
1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea
CID 163572506
1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 167807431
1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95269169
1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 96566181
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
1-[(3R)-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]-2-oxopiperidin-3-yl]-3-(2-fluorophenyl)urea
CID 154971473
1-(2,4-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838850
1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838900
1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838705

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-[1-[4-(3-hydroxycyclopentyl)phenyl]-2-oxopiperidin-3-yl]urea?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-[1-[4-(3-hydroxycyclopentyl)phenyl]-2-oxopiperidin-3-yl]urea (CID 142493573) is 1-(2-fluoro-4-methylphenyl)-3-[1-[4-(3-hydroxycyclopentyl)phenyl]-2-oxopiperidin-3-yl]urea.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-3-[1-[4-(3-hydroxycyclopentyl)phenyl]-2-oxopiperidin-3-yl]urea?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-3-[1-[4-(3-hydroxycyclopentyl)phenyl]-2-oxopiperidin-3-yl]urea is Cc1ccc(NC(=O)NC2CCCN(c3ccc(C4CCC(O)C4)cc3)C2=O)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-3-[1-[4-(3-hydroxycyclopentyl)phenyl]-2-oxopiperidin-3-yl]urea?
The InChIKey is KEUYGYFWQRDHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-15-4-11-21(20(25)13-15)26-24(31)27-22-3-2-12-28(23(22)30)18-8-5-16(6-9-18)17-7-10-19(29)14-17/h4-6,8-9,11,13,17,19,22,29H,2-3,7,10,12,14H2,1H3,(H2,26,27,31).
What are the key properties of 1-(2-fluoro-4-methylphenyl)-3-[1-[4-(3-hydroxycyclopentyl)phenyl]-2-oxopiperidin-3-yl]urea?
1-(2-fluoro-4-methylphenyl)-3-[1-[4-(3-hydroxycyclopentyl)phenyl]-2-oxopiperidin-3-yl]urea has a molecular weight of 425.50 g/mol, XLogP of 4.08, 4 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-(3-hydroxycyclopentyl)phenyl]-2-oxopiperidin-3-yl]urea is sourced from PubChem (CID 142493573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).