1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea

C28H32FN3O — CID 23497310

IUPAC1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccc(F)cc1)Nc1cccc(CN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C28H32FN3O/c29-26-11-9-22(10-12-26)13-16-30-28(33)31-27-8-4-7-25(20-27)21-32-17-14-24(15-18-32)19-23-5-2-1-3-6-23/h1-12,20,24H,13-19,21H2,(H2,30,31,33)
InChIKeyJZVBAPJPEYDKAL-UHFFFAOYSA-N
MW445.58 g/mol
LogP5.64
Rot. Bonds8

About 1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea

1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea (PubChem CID 23497310) has the molecular formula C28H32FN3O and a molecular weight of 445.58 g/mol. Its IUPAC name is 1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
PubChem CID23497310
Molecular FormulaC28H32FN3O
Molecular Weight445.58 g/mol
Exact Mass445.25
IUPAC Name1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccc(F)cc1)Nc1cccc(CN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C28H32FN3O/c29-26-11-9-22(10-12-26)13-16-30-28(33)31-27-8-4-7-25(20-27)21-32-17-14-24(15-18-32)19-23-5-2-1-3-6-23/h1-12,20,24H,13-19,21H2,(H2,30,31,33)
InChIKeyJZVBAPJPEYDKAL-UHFFFAOYSA-N
XLogP5.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.58
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea with MolForge

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Related Compounds

1-(3-acetylphenyl)-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393282
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
1-[2-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 11762084
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3-fluorophenyl)urea
CID 55696768
1-(3-acetylphenyl)-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-hydroxypropyl]urea
CID 22504630
methyl 3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-(phenylcarbamoylamino)benzoate
CID 23497296
1-[2-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetyl]phenyl]-3-phenylurea
CID 10884773
N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide
CID 38215909
1-(4-fluorophenyl)-3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393448
1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11268609
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
1-(3-cyanophenyl)-3-[2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]naphthalen-1-yl]urea
CID 11081509

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea (CID 23497310) is 1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea is O=C(NCCc1ccc(F)cc1)Nc1cccc(CN2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The InChIKey is JZVBAPJPEYDKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O/c29-26-11-9-22(10-12-26)13-16-30-28(33)31-27-8-4-7-25(20-27)21-32-17-14-24(15-18-32)19-23-5-2-1-3-6-23/h1-12,20,24H,13-19,21H2,(H2,30,31,33).
What are the key properties of 1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea?
1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea has a molecular weight of 445.58 g/mol, XLogP of 5.64, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 23497310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).