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

C24H30FN3O2 — CID 22393401

IUPAC1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCCCN2CCCC(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C24H30FN3O2/c1-18(29)21-6-2-7-23(16-21)27-24(30)26-12-4-14-28-13-3-5-20(17-28)15-19-8-10-22(25)11-9-19/h2,6-11,16,20H,3-5,12-15,17H2,1H3,(H2,26,27,30)
InChIKeyFDDSQKZQCHXOJV-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.49
Rot. Bonds8

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

1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea (PubChem CID 22393401) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
PubChem CID22393401
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCCCN2CCCC(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C24H30FN3O2/c1-18(29)21-6-2-7-23(16-21)27-24(30)26-12-4-14-28-13-3-5-20(17-28)15-19-8-10-22(25)11-9-19/h2,6-11,16,20H,3-5,12-15,17H2,1H3,(H2,26,27,30)
InChIKeyFDDSQKZQCHXOJV-UHFFFAOYSA-N
XLogP4.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.49
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-(3-acetylphenyl)-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393282
1-[4-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]butyl]-3-(3-methoxyphenyl)urea
CID 22393472
1-(3-cyanophenyl)-3-[4-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]butyl]urea
CID 22393300
3-[3-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]propylcarbamoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 87975887
1-(2,3-dihydro-1H-indol-5-yl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393444
1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea
CID 70135068
1-(3-cyanophenyl)-3-[3-[3-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393396
1-[3,5-bis(1-methyltetrazol-5-yl)phenyl]-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393477
1-(3-acetylphenyl)-3-[1-[(3S)-3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]cyclopropyl]urea
CID 10296811
1-(2,5-dimethoxyphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393322
1-(3-acetylphenyl)-3-[4-fluoro-2-[[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-yl]urea
CID 75184826
1-(3-acetylphenyl)-3-[3-[1-(cyclopropylmethyl)-4-[(4-fluorophenyl)methyl]piperidin-1-ium-1-yl]propyl]urea
CID 18433235

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea (CID 22393401) is 1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea is CC(=O)c1cccc(NC(=O)NCCCN2CCCC(Cc3ccc(F)cc3)C2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea?
The InChIKey is FDDSQKZQCHXOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-18(29)21-6-2-7-23(16-21)27-24(30)26-12-4-14-28-13-3-5-20(17-28)15-19-8-10-22(25)11-9-19/h2,6-11,16,20H,3-5,12-15,17H2,1H3,(H2,26,27,30).
What are the key properties of 1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea?
1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea has a molecular weight of 411.52 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea is sourced from PubChem (CID 22393401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).