1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]urea;ethane

C24H31ClFN3O4 — CID 153340077

IUPAC1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]urea;ethane
SMILESCC.COCCN1CC(c2ccc(OC)cc2F)C(NC(=O)Nc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C22H25ClFN3O4.C2H6/c1-30-10-9-27-13-18(17-8-7-16(31-2)11-19(17)24)20(12-21(27)28)26-22(29)25-15-5-3-14(23)4-6-15;1-2/h3-8,11,18,20H,9-10,12-13H2,1-2H3,(H2,25,26,29);1-2H3
InChIKeyDEOXWKAMCUQWJQ-UHFFFAOYSA-N
MW479.98 g/mol
LogP4.67
Rot. Bonds7

About 1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]urea;ethane

1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]urea;ethane (PubChem CID 153340077) has the molecular formula C24H31ClFN3O4 and a molecular weight of 479.98 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]urea;ethane.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]urea;ethane
PubChem CID153340077
Molecular FormulaC24H31ClFN3O4
Molecular Weight479.98 g/mol
Exact Mass479.20
IUPAC Name1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]urea;ethane
SMILESCC.COCCN1CC(c2ccc(OC)cc2F)C(NC(=O)Nc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C22H25ClFN3O4.C2H6/c1-30-10-9-27-13-18(17-8-7-16(31-2)11-19(17)24)20(12-21(27)28)26-22(29)25-15-5-3-14(23)4-6-15;1-2/h3-8,11,18,20H,9-10,12-13H2,1-2H3,(H2,25,26,29);1-2H3
InChIKeyDEOXWKAMCUQWJQ-UHFFFAOYSA-N
XLogP4.67
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.98
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]urea;ethane 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-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-methyl-2-oxopiperidin-4-yl]urea
CID 139475778
1-(4-bromophenyl)-3-[(4S)-1-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-oxopiperidin-4-yl]urea
CID 139475853
1-(4-chlorophenyl)-3-[(3S)-4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]urea
CID 134361253
ethane;[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]azanide;(4-methylphenyl)azanide;yttrium
CID 153340016
1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea
CID 139475787
1-(4-chlorophenyl)-3-[(3S)-1-(cyclopropylmethyl)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]urea
CID 134361553
1-(4-chlorophenyl)-3-[(3S,4R)-1-(2-hydroxyethyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea
CID 157305390
1-(4-bromophenyl)-3-[(4S)-5-(4-methoxyphenyl)-1-methyl-2-oxopiperidin-4-yl]urea
CID 139475898
N-(3,4-difluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185480
1-(4-chlorophenyl)-3-[(3S,4S)-4-(2,6-difluoro-4-methoxyphenyl)piperidin-3-yl]urea
CID 134347569
1-(3-methoxyphenyl)-3-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]urea
CID 42516811
tert-butyl (4R)-4-[(4-chlorophenyl)carbamoylamino]-3-(4-methoxyphenyl)piperidine-1-carboxylate
CID 139476004

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]urea;ethane?
The IUPAC name of 1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]urea;ethane (CID 153340077) is 1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]urea;ethane.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]urea;ethane?
The canonical SMILES for 1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]urea;ethane is CC.COCCN1CC(c2ccc(OC)cc2F)C(NC(=O)Nc2ccc(Cl)cc2)CC1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]urea;ethane?
The InChIKey is DEOXWKAMCUQWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O4.C2H6/c1-30-10-9-27-13-18(17-8-7-16(31-2)11-19(17)24)20(12-21(27)28)26-22(29)25-15-5-3-14(23)4-6-15;1-2/h3-8,11,18,20H,9-10,12-13H2,1-2H3,(H2,25,26,29);1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]urea;ethane?
1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]urea;ethane has a molecular weight of 479.98 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]urea;ethane is sourced from PubChem (CID 153340077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).