1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea

C19H21F2N3O — CID 972217

IUPAC1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21F2N3O/c20-15-6-7-18(17(21)12-15)23-19(25)22-16-8-10-24(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H2,22,23,25)
InChIKeyGDKMUTNZPMNMIY-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.75
Rot. Bonds4

About 1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea

1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea (PubChem CID 972217) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
PubChem CID972217
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21F2N3O/c20-15-6-7-18(17(21)12-15)23-19(25)22-16-8-10-24(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H2,22,23,25)
InChIKeyGDKMUTNZPMNMIY-UHFFFAOYSA-N
XLogP3.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
1-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-3-(2,4-difluorophenyl)urea
CID 7402590
1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea
CID 23825400
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
3-(4-benzylpiperazin-1-yl)-N-(2,4-difluorophenyl)-3-oxopropanamide
CID 108949367
1-[(1R,5S)-8-benzyl-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(2,4-difluorophenyl)urea
CID 11902223
N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide
CID 47093309
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methoxyphenyl)urea
CID 87008877
1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 127228015
1-(1-benzothiophen-3-yl)-3-(1-benzylpiperidin-4-yl)urea
CID 2813504
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methylsulfanylphenyl)urea
CID 87009051
1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea
CID 43652927

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea (CID 972217) is 1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea is O=C(Nc1ccc(F)cc1F)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea?
The InChIKey is GDKMUTNZPMNMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c20-15-6-7-18(17(21)12-15)23-19(25)22-16-8-10-24(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H2,22,23,25).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea?
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea has a molecular weight of 345.39 g/mol, XLogP of 3.75, 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-(2,4-difluorophenyl)urea is sourced from PubChem (CID 972217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).