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

C19H22FN3O — CID 6471104

IUPAC1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22FN3O/c20-16-7-4-8-18(13-16)22-19(24)21-17-9-11-23(12-10-17)14-15-5-2-1-3-6-15/h1-8,13,17H,9-12,14H2,(H2,21,22,24)
InChIKeyKZHBSQMIYHCPDG-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.61
Rot. Bonds4

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

1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea (PubChem CID 6471104) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea
PubChem CID6471104
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22FN3O/c20-16-7-4-8-18(13-16)22-19(24)21-17-9-11-23(12-10-17)14-15-5-2-1-3-6-15/h1-8,13,17H,9-12,14H2,(H2,21,22,24)
InChIKeyKZHBSQMIYHCPDG-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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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea (CID 6471104) is 1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea is O=C(Nc1cccc(F)c1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea?
The InChIKey is KZHBSQMIYHCPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-16-7-4-8-18(13-16)22-19(24)21-17-9-11-23(12-10-17)14-15-5-2-1-3-6-15/h1-8,13,17H,9-12,14H2,(H2,21,22,24).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea?
1-(1-benzylpiperidin-4-yl)-3-(3-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-(3-fluorophenyl)urea is sourced from PubChem (CID 6471104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).