1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea

C21H26FN3O2 — CID 43016379

IUPAC1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea
SMILESCOc1ccc(C(CNC(=O)Nc2ccc(F)cc2)N2CCCCC2)cc1
InChIInChI=1S/C21H26FN3O2/c1-27-19-11-5-16(6-12-19)20(25-13-3-2-4-14-25)15-23-21(26)24-18-9-7-17(22)8-10-18/h5-12,20H,2-4,13-15H2,1H3,(H2,23,24,26)
InChIKeyXKCQSIQAQQCORE-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.18
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea

1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea (PubChem CID 43016379) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea
PubChem CID43016379
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea
SMILESCOc1ccc(C(CNC(=O)Nc2ccc(F)cc2)N2CCCCC2)cc1
InChIInChI=1S/C21H26FN3O2/c1-27-19-11-5-16(6-12-19)20(25-13-3-2-4-14-25)15-23-21(26)24-18-9-7-17(22)8-10-18/h5-12,20H,2-4,13-15H2,1H3,(H2,23,24,26)
InChIKeyXKCQSIQAQQCORE-UHFFFAOYSA-N
XLogP4.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenyl)urea
CID 43956378
2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014584
(2R)-2-(4-fluorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 31140460
1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 16803372
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623858
1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea
CID 17460329
1-[4-(difluoromethoxy)phenyl]-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 55695296
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,2-dimethylpropanamide
CID 51173094
5-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1H-indole-2-carboxamide
CID 39982579
4-fluoro-N-[1-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 43006594
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(4-methoxyphenyl)oxamide
CID 18583594
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(4-methoxyphenyl)oxamide
CID 7192257

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea (CID 43016379) is 1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea is COc1ccc(C(CNC(=O)Nc2ccc(F)cc2)N2CCCCC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea?
The InChIKey is XKCQSIQAQQCORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-27-19-11-5-16(6-12-19)20(25-13-3-2-4-14-25)15-23-21(26)24-18-9-7-17(22)8-10-18/h5-12,20H,2-4,13-15H2,1H3,(H2,23,24,26).
What are the key properties of 1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea?
1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea has a molecular weight of 371.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea is sourced from PubChem (CID 43016379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).