1-(1-cyclopentylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-phenylurea

C24H30FN3O — CID 46884465

IUPAC1-(1-cyclopentylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-phenylurea
SMILESO=C(NCc1ccc(F)cc1)N(c1ccccc1)C1CCN(C2CCCC2)CC1
InChIInChI=1S/C24H30FN3O/c25-20-12-10-19(11-13-20)18-26-24(29)28(22-8-2-1-3-9-22)23-14-16-27(17-15-23)21-6-4-5-7-21/h1-3,8-13,21,23H,4-7,14-18H2,(H,26,29)
InChIKeyXAMDLDQSUSOBON-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.95
Rot. Bonds5

About 1-(1-cyclopentylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-phenylurea

1-(1-cyclopentylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-phenylurea (PubChem CID 46884465) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-phenylurea.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-phenylurea
PubChem CID46884465
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-phenylurea
SMILESO=C(NCc1ccc(F)cc1)N(c1ccccc1)C1CCN(C2CCCC2)CC1
InChIInChI=1S/C24H30FN3O/c25-20-12-10-19(11-13-20)18-26-24(29)28(22-8-2-1-3-9-22)23-14-16-27(17-15-23)21-6-4-5-7-21/h1-3,8-13,21,23H,4-7,14-18H2,(H,26,29)
InChIKeyXAMDLDQSUSOBON-UHFFFAOYSA-N
XLogP4.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-phenylurea?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-phenylurea (CID 46884465) is 1-(1-cyclopentylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-phenylurea.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-phenylurea?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-phenylurea is O=C(NCc1ccc(F)cc1)N(c1ccccc1)C1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-phenylurea?
The InChIKey is XAMDLDQSUSOBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c25-20-12-10-19(11-13-20)18-26-24(29)28(22-8-2-1-3-9-22)23-14-16-27(17-15-23)21-6-4-5-7-21/h1-3,8-13,21,23H,4-7,14-18H2,(H,26,29).
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-phenylurea?
1-(1-cyclopentylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-phenylurea has a molecular weight of 395.52 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-phenylurea is sourced from PubChem (CID 46884465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).