1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(2-phenylethyl)urea

C24H32FN3O — CID 22393378

IUPAC1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCCN1CCC(Cc2ccc(F)cc2)CC1)NCCc1ccccc1
InChIInChI=1S/C24H32FN3O/c25-23-9-7-21(8-10-23)19-22-12-17-28(18-13-22)16-4-14-26-24(29)27-15-11-20-5-2-1-3-6-20/h1-3,5-10,22H,4,11-19H2,(H2,26,27,29)
InChIKeyVKPCYODWIYLFDI-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.01
Rot. Bonds9

About 1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(2-phenylethyl)urea

1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(2-phenylethyl)urea (PubChem CID 22393378) has the molecular formula C24H32FN3O and a molecular weight of 397.54 g/mol. Its IUPAC name is 1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(2-phenylethyl)urea
PubChem CID22393378
Molecular FormulaC24H32FN3O
Molecular Weight397.54 g/mol
Exact Mass397.25
IUPAC Name1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCCN1CCC(Cc2ccc(F)cc2)CC1)NCCc1ccccc1
InChIInChI=1S/C24H32FN3O/c25-23-9-7-21(8-10-23)19-22-12-17-28(18-13-22)16-4-14-26-24(29)27-15-11-20-5-2-1-3-6-20/h1-3,5-10,22H,4,11-19H2,(H2,26,27,29)
InChIKeyVKPCYODWIYLFDI-UHFFFAOYSA-N
XLogP4.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Amperozide
CID 73333
Amperozide Hydrochloride
CID 73334
N,N'-Bis(2-phenylethyl)urea
CID 95244
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
Urea, (2-cyclohexyl-2-phenylethyl)-
CID 6472454
CID 31899116
CID 31899116
3-Benzyl-piperidine-1-carboxylic acid adamantan-2-ylamide
CID 46231437
3-methyl-3-phenyl-N-((1S,2R)-2-phenylcyclopropyl)piperidine-1-carboxamide
CID 46882917
N-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide
CID 118728606
N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3255338

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(2-phenylethyl)urea (CID 22393378) is 1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(2-phenylethyl)urea is O=C(NCCCN1CCC(Cc2ccc(F)cc2)CC1)NCCc1ccccc1.
What is the InChIKey of 1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(2-phenylethyl)urea?
The InChIKey is VKPCYODWIYLFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O/c25-23-9-7-21(8-10-23)19-22-12-17-28(18-13-22)16-4-14-26-24(29)27-15-11-20-5-2-1-3-6-20/h1-3,5-10,22H,4,11-19H2,(H2,26,27,29).
What are the key properties of 1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(2-phenylethyl)urea?
1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(2-phenylethyl)urea has a molecular weight of 397.54 g/mol, XLogP of 4.01, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 22393378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).