1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea

C20H22F3N3O — CID 15989563

IUPAC1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
SMILESO=C(NCC1CCN(Cc2ccccc2F)CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C20H22F3N3O/c21-16-5-6-19(18(23)11-16)25-20(27)24-12-14-7-9-26(10-8-14)13-15-3-1-2-4-17(15)22/h1-6,11,14H,7-10,12-13H2,(H2,24,25,27)
InChIKeyBBBKGPSYCRHSSV-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.14
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea

1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea (PubChem CID 15989563) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
PubChem CID15989563
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
SMILESO=C(NCC1CCN(Cc2ccccc2F)CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C20H22F3N3O/c21-16-5-6-19(18(23)11-16)25-20(27)24-12-14-7-9-26(10-8-14)13-15-3-1-2-4-17(15)22/h1-6,11,14H,7-10,12-13H2,(H2,24,25,27)
InChIKeyBBBKGPSYCRHSSV-UHFFFAOYSA-N
XLogP4.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea with MolForge

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Related Compounds

1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
CID 22430495
1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
CID 94503931
1-(2,4-difluorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912997
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide
CID 71991294
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(naphthalen-1-ylmethyl)methanamine
CID 142138954
1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea
CID 3873240
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 75423564
1-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea
CID 23609271
methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 78582440
1-(2,4-dimethylphenyl)-3-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609275
1-(2-fluorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106125111

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea (CID 15989563) is 1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea is O=C(NCC1CCN(Cc2ccccc2F)CC1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea?
The InChIKey is BBBKGPSYCRHSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c21-16-5-6-19(18(23)11-16)25-20(27)24-12-14-7-9-26(10-8-14)13-15-3-1-2-4-17(15)22/h1-6,11,14H,7-10,12-13H2,(H2,24,25,27).
What are the key properties of 1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea?
1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea has a molecular weight of 377.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea is sourced from PubChem (CID 15989563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).