1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea

C19H22FN3O — CID 6465310

IUPAC1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22FN3O/c20-16-6-8-17(9-7-16)21-19(24)22-18-10-12-23(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H2,21,22,24)
InChIKeyOPILVPUGYFCOCT-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.61
Rot. Bonds4

About 1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea

1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea (PubChem CID 6465310) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
PubChem CID6465310
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22FN3O/c20-16-6-8-17(9-7-16)21-19(24)22-18-10-12-23(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H2,21,22,24)
InChIKeyOPILVPUGYFCOCT-UHFFFAOYSA-N
XLogP3.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
CID 155425453
2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
CID 55912566
1-(1-benzylpiperidin-4-yl)-3-[4-(3-oxopiperazin-1-yl)phenyl]urea
CID 47039739
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
CID 87034548
1-(1-benzylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 3848011
1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea
CID 51726136
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea
CID 141100659
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
1-(1-benzylpiperidin-4-yl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea
CID 74226991

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea (CID 6465310) is 1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea?
The InChIKey is OPILVPUGYFCOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-16-6-8-17(9-7-16)21-19(24)22-18-10-12-23(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H2,21,22,24).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea?
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea has a molecular weight of 327.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 6465310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).