1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea

C19H22FN3O — CID 86837430

IUPAC1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea
SMILESO=C(NCc1cccc(F)c1)Nc1cccc(N2CCCCC2)c1
InChIInChI=1S/C19H22FN3O/c20-16-7-4-6-15(12-16)14-21-19(24)22-17-8-5-9-18(13-17)23-10-2-1-3-11-23/h4-9,12-13H,1-3,10-11,14H2,(H2,21,22,24)
InChIKeyPVVDWLCREIEDNP-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.14
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea

1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea (PubChem CID 86837430) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea
PubChem CID86837430
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea
SMILESO=C(NCc1cccc(F)c1)Nc1cccc(N2CCCCC2)c1
InChIInChI=1S/C19H22FN3O/c20-16-7-4-6-15(12-16)14-21-19(24)22-17-8-5-9-18(13-17)23-10-2-1-3-11-23/h4-9,12-13H,1-3,10-11,14H2,(H2,21,22,24)
InChIKeyPVVDWLCREIEDNP-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86837888
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea
CID 86837879
1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea
CID 86837498
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-benzylurea
CID 110368197
1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 47192931
[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite
CID 142259796
1-[(3-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108988759
2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 16552460
1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47192342
4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide
CID 46977998
1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea
CID 108898481

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea (CID 86837430) is 1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea is O=C(NCc1cccc(F)c1)Nc1cccc(N2CCCCC2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea?
The InChIKey is PVVDWLCREIEDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-16-7-4-6-15(12-16)14-21-19(24)22-17-8-5-9-18(13-17)23-10-2-1-3-11-23/h4-9,12-13H,1-3,10-11,14H2,(H2,21,22,24).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea?
1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea has a molecular weight of 327.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 86837430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).