2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide

C23H25N5O2 — CID 55718532

IUPAC2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1)Nc1ccccc1
InChIInChI=1S/C23H25N5O2/c29-22(25-21-4-2-1-3-5-21)17-26-12-14-28(15-13-26)23(30)20-8-6-19(7-9-20)16-27-11-10-24-18-27/h1-11,18H,12-17H2,(H,25,29)
InChIKeyZDQXUDQXUPWWEX-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.33
Rot. Bonds6

About 2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide

2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 55718532) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID55718532
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1)Nc1ccccc1
InChIInChI=1S/C23H25N5O2/c29-22(25-21-4-2-1-3-5-21)17-26-12-14-28(15-13-26)23(30)20-8-6-19(7-9-20)16-27-11-10-24-18-27/h1-11,18H,12-17H2,(H,25,29)
InChIKeyZDQXUDQXUPWWEX-UHFFFAOYSA-N
XLogP2.33
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 43924627
2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55719379
2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540
[4-(imidazol-1-ylmethyl)phenyl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560553
[4-(imidazol-1-ylmethyl)phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346774
N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide
CID 31150749
[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone
CID 51897007
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
N-phenyl-2-[4-[4-(2,2,2-trifluoroethoxymethyl)benzoyl]piperazin-1-yl]acetamide
CID 31349892
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826
N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 35125248

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide (CID 55718532) is 2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is ZDQXUDQXUPWWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c29-22(25-21-4-2-1-3-5-21)17-26-12-14-28(15-13-26)23(30)20-8-6-19(7-9-20)16-27-11-10-24-18-27/h1-11,18H,12-17H2,(H,25,29).
What are the key properties of 2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 403.49 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 55718532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).