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

C23H30FN3O2 — CID 22393448

IUPAC1-(4-fluorophenyl)-3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propyl]urea
SMILESCOc1cccc(CC2CCN(CCCNC(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H30FN3O2/c1-29-22-5-2-4-19(17-22)16-18-10-14-27(15-11-18)13-3-12-25-23(28)26-21-8-6-20(24)7-9-21/h2,4-9,17-18H,3,10-16H2,1H3,(H2,25,26,28)
InChIKeyBHVZGTHHLTURQV-UHFFFAOYSA-N
MW399.51 g/mol
LogP4.30
Rot. Bonds8

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

1-(4-fluorophenyl)-3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propyl]urea (PubChem CID 22393448) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propyl]urea
PubChem CID22393448
Molecular FormulaC23H30FN3O2
Molecular Weight399.51 g/mol
Exact Mass399.23
IUPAC Name1-(4-fluorophenyl)-3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propyl]urea
SMILESCOc1cccc(CC2CCN(CCCNC(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H30FN3O2/c1-29-22-5-2-4-19(17-22)16-18-10-14-27(15-11-18)13-3-12-25-23(28)26-21-8-6-20(24)7-9-21/h2,4-9,17-18H,3,10-16H2,1H3,(H2,25,26,28)
InChIKeyBHVZGTHHLTURQV-UHFFFAOYSA-N
XLogP4.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]butyl]-3-(3-methoxyphenyl)urea
CID 22393472
1-(3-acetylphenyl)-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393282
1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143531596
1-(2,5-dimethoxyphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393322
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea
CID 70135068
1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393401
1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 23497310
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 27151287
(3R,5R)-N-(4-fluorophenyl)-5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide
CID 92607866
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-fluorophenyl)urea
CID 51334001
1-(3,4-difluorophenyl)-3-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]propyl]urea
CID 11696845

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propyl]urea (CID 22393448) is 1-(4-fluorophenyl)-3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propyl]urea is COc1cccc(CC2CCN(CCCNC(=O)Nc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propyl]urea?
The InChIKey is BHVZGTHHLTURQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2/c1-29-22-5-2-4-19(17-22)16-18-10-14-27(15-11-18)13-3-12-25-23(28)26-21-8-6-20(24)7-9-21/h2,4-9,17-18H,3,10-16H2,1H3,(H2,25,26,28).
What are the key properties of 1-(4-fluorophenyl)-3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propyl]urea?
1-(4-fluorophenyl)-3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propyl]urea has a molecular weight of 399.51 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propyl]urea is sourced from PubChem (CID 22393448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).