1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-[(4-fluorophenyl)methyl]urea

C18H26FN3O — CID 23609411

IUPAC1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)NCC1CCN(C2CCCC2)C1
InChIInChI=1S/C18H26FN3O/c19-16-7-5-14(6-8-16)11-20-18(23)21-12-15-9-10-22(13-15)17-3-1-2-4-17/h5-8,15,17H,1-4,9-13H2,(H2,20,21,23)
InChIKeyQRCNGYSHNGCVQI-UHFFFAOYSA-N
MW319.42 g/mol
LogP2.89
Rot. Bonds5

About 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-[(4-fluorophenyl)methyl]urea

1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 23609411) has the molecular formula C18H26FN3O and a molecular weight of 319.42 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID23609411
Molecular FormulaC18H26FN3O
Molecular Weight319.42 g/mol
Exact Mass319.21
IUPAC Name1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)NCC1CCN(C2CCCC2)C1
InChIInChI=1S/C18H26FN3O/c19-16-7-5-14(6-8-16)11-20-18(23)21-12-15-9-10-22(13-15)17-3-1-2-4-17/h5-8,15,17H,1-4,9-13H2,(H2,20,21,23)
InChIKeyQRCNGYSHNGCVQI-UHFFFAOYSA-N
XLogP2.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-[(4-fluorophenyl)methyl]urea (CID 23609411) is 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-[(4-fluorophenyl)methyl]urea is O=C(NCc1ccc(F)cc1)NCC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is QRCNGYSHNGCVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O/c19-16-7-5-14(6-8-16)11-20-18(23)21-12-15-9-10-22(13-15)17-3-1-2-4-17/h5-8,15,17H,1-4,9-13H2,(H2,20,21,23).
What are the key properties of 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-[(4-fluorophenyl)methyl]urea?
1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 319.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 23609411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).