(4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone

C24H26FN3O2 — CID 67699856

IUPAC(4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CCCOc2ccccc2-n2ccnc2)CC1
InChIInChI=1S/C24H26FN3O2/c25-21-8-6-19(7-9-21)24(29)20-10-14-27(15-11-20)13-3-17-30-23-5-2-1-4-22(23)28-16-12-26-18-28/h1-2,4-9,12,16,18,20H,3,10-11,13-15,17H2
InChIKeyNLMOXWCUWLFQTG-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.38
Rot. Bonds8

About (4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone (PubChem CID 67699856) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone
PubChem CID67699856
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name(4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CCCOc2ccccc2-n2ccnc2)CC1
InChIInChI=1S/C24H26FN3O2/c25-21-8-6-19(7-9-21)24(29)20-10-14-27(15-11-20)13-3-17-30-23-5-2-1-4-22(23)28-16-12-26-18-28/h1-2,4-9,12,16,18,20H,3,10-11,13-15,17H2
InChIKeyNLMOXWCUWLFQTG-UHFFFAOYSA-N
XLogP4.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
[1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 15290380
[1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 54135393
3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1,3-benzoxazol-6-yl)carbamate
CID 54027243
1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one
CID 58172370
(4-fluorophenyl)-[1-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]butyl]piperidin-4-yl]methanone
CID 57162230
(4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride
CID 14882741
[1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 67697649
N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide
CID 42609932
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone
CID 11016205
1-[2-[3-[3-(2-imidazol-1-ylphenoxy)propylsulfonyl]propoxy]phenyl]imidazole
CID 139818053

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone (CID 67699856) is (4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(CCCOc2ccccc2-n2ccnc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone?
The InChIKey is NLMOXWCUWLFQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c25-21-8-6-19(7-9-21)24(29)20-10-14-27(15-11-20)13-3-17-30-23-5-2-1-4-22(23)28-16-12-26-18-28/h1-2,4-9,12,16,18,20H,3,10-11,13-15,17H2.
What are the key properties of (4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone has a molecular weight of 407.49 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone is sourced from PubChem (CID 67699856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).