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

C20H21ClFN3O3 — CID 139475778

IUPAC1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-methyl-2-oxopiperidin-4-yl]urea
SMILESCOc1ccc(C2CN(C)C(=O)CC2NC(=O)Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C20H21ClFN3O3/c1-25-11-16(15-8-7-14(28-2)9-17(15)22)18(10-19(25)26)24-20(27)23-13-5-3-12(21)4-6-13/h3-9,16,18H,10-11H2,1-2H3,(H2,23,24,27)
InChIKeyVNFFJBSOXGBLDS-UHFFFAOYSA-N
MW405.86 g/mol
LogP3.62
Rot. Bonds4

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

1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-methyl-2-oxopiperidin-4-yl]urea (PubChem CID 139475778) has the molecular formula C20H21ClFN3O3 and a molecular weight of 405.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-methyl-2-oxopiperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-methyl-2-oxopiperidin-4-yl]urea
PubChem CID139475778
Molecular FormulaC20H21ClFN3O3
Molecular Weight405.86 g/mol
Exact Mass405.13
IUPAC Name1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-methyl-2-oxopiperidin-4-yl]urea
SMILESCOc1ccc(C2CN(C)C(=O)CC2NC(=O)Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C20H21ClFN3O3/c1-25-11-16(15-8-7-14(28-2)9-17(15)22)18(10-19(25)26)24-20(27)23-13-5-3-12(21)4-6-13/h3-9,16,18H,10-11H2,1-2H3,(H2,23,24,27)
InChIKeyVNFFJBSOXGBLDS-UHFFFAOYSA-N
XLogP3.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-(2-methoxyethyl)-2-oxopiperidin-4-yl]urea;ethane
CID 153340077
1-(4-chlorophenyl)-3-[(3S)-4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]urea
CID 134361253
1-(4-bromophenyl)-3-[(4S)-5-(4-methoxyphenyl)-1-methyl-2-oxopiperidin-4-yl]urea
CID 139475898
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,4S)-4-(2,6-difluoro-4-methoxyphenyl)piperidin-3-yl]urea
CID 134347569
1-[(3R,4R)-1,3-bis(4-methoxyphenyl)piperidin-4-yl]-3-(4-chlorophenyl)urea
CID 139466768
1-(4-chlorophenyl)-3-[(3S,4R)-1-(2-hydroxyethyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea
CID 157305390
tert-butyl (4R)-4-[(4-chlorophenyl)carbamoylamino]-3-(4-methoxyphenyl)piperidine-1-carboxylate
CID 139476004
1-(4-bromophenyl)-3-[(4S)-1-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-oxopiperidin-4-yl]urea
CID 139475853
1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea
CID 134347535
1-(4-fluorophenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544338

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-methyl-2-oxopiperidin-4-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-methyl-2-oxopiperidin-4-yl]urea (CID 139475778) is 1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-methyl-2-oxopiperidin-4-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-methyl-2-oxopiperidin-4-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-methyl-2-oxopiperidin-4-yl]urea is COc1ccc(C2CN(C)C(=O)CC2NC(=O)Nc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-methyl-2-oxopiperidin-4-yl]urea?
The InChIKey is VNFFJBSOXGBLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O3/c1-25-11-16(15-8-7-14(28-2)9-17(15)22)18(10-19(25)26)24-20(27)23-13-5-3-12(21)4-6-13/h3-9,16,18H,10-11H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-methyl-2-oxopiperidin-4-yl]urea?
1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-methyl-2-oxopiperidin-4-yl]urea has a molecular weight of 405.86 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-methyl-2-oxopiperidin-4-yl]urea is sourced from PubChem (CID 139475778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).