1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one

C17H21FN4O — CID 137348833

IUPAC1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one
SMILESO=C1CN(CCCn2ccnc2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C17H21FN4O/c18-16-4-2-15(3-5-16)12-22-11-10-20(13-17(22)23)7-1-8-21-9-6-19-14-21/h2-6,9,14H,1,7-8,10-13H2
InChIKeyNBFKCPBQLPIJMN-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.76
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one

1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one (PubChem CID 137348833) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one
PubChem CID137348833
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one
SMILESO=C1CN(CCCn2ccnc2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C17H21FN4O/c18-16-4-2-15(3-5-16)12-22-11-10-20(13-17(22)23)7-1-8-21-9-6-19-14-21/h2-6,9,14H,1,7-8,10-13H2
InChIKeyNBFKCPBQLPIJMN-UHFFFAOYSA-N
XLogP1.76
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benznidazole
CID 31593
1-(4-fluorobenzyl)-1H-imidazole
CID 12229388
1-(3-Fluorobenzyl)-1H-imidazole
CID 19902087
1-[(1H-imidazol-1-yl)carbonyl]-4-(diphenylmethyl)piperazine
CID 70148936
1-benzyl-1H-imidazole-2-carbaldehyde
CID 139082
1-(3,4-difluorobenzyl)-1H-imidazole
CID 44414157
N-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide
CID 2861400
13-Fluoro-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-7-one
CID 10198663
14-Fluoro-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-7-one
CID 44370130
12-Fluoro-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-7-one
CID 44370145
(2E)-3-(4-fluorophenyl)-N-[3-(1H-imidazol-1-yl)propyl]prop-2-enamide
CID 5725227
1-[(4-Chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one
CID 137348834

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one (CID 137348833) is 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one is O=C1CN(CCCn2ccnc2)CCN1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one?
The InChIKey is NBFKCPBQLPIJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-16-4-2-15(3-5-16)12-22-11-10-20(13-17(22)23)7-1-8-21-9-6-19-14-21/h2-6,9,14H,1,7-8,10-13H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one?
1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one has a molecular weight of 316.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one is sourced from PubChem (CID 137348833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).