(3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone

C14H16N4O — CID 164591408

IUPAC(3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone
SMILESO=C(c1cccc(-n2ccnc2)c1)N1CCNCC1
InChIInChI=1S/C14H16N4O/c19-14(17-7-4-15-5-8-17)12-2-1-3-13(10-12)18-9-6-16-11-18/h1-3,6,9-11,15H,4-5,7-8H2
InChIKeyKCJQTKCRBMLAOU-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.92
Rot. Bonds2

About (3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone

(3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone (PubChem CID 164591408) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone
PubChem CID164591408
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone
SMILESO=C(c1cccc(-n2ccnc2)c1)N1CCNCC1
InChIInChI=1S/C14H16N4O/c19-14(17-7-4-15-5-8-17)12-2-1-3-13(10-12)18-9-6-16-11-18/h1-3,6,9-11,15H,4-5,7-8H2
InChIKeyKCJQTKCRBMLAOU-UHFFFAOYSA-N
XLogP0.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 166209446
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 111561042
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
[2-(4-ethylphenyl)piperazin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 120740821
1,4-diazepan-1-yl-[3-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride
CID 119418188
(3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone
CID 28748938
(3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 122147578
azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 124691868
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 122338581
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one
CID 139635569

Frequently Asked Questions

What is the IUPAC name of (3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone?
The IUPAC name of (3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone (CID 164591408) is (3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone is O=C(c1cccc(-n2ccnc2)c1)N1CCNCC1.
What is the InChIKey of (3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone?
The InChIKey is KCJQTKCRBMLAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(17-7-4-15-5-8-17)12-2-1-3-13(10-12)18-9-6-16-11-18/h1-3,6,9-11,15H,4-5,7-8H2.
What are the key properties of (3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone?
(3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone has a molecular weight of 256.31 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 164591408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).