N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide

C23H24N4O2 — CID 31150749

IUPACN-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1)Nc1ccccc1
InChIInChI=1S/C23H24N4O2/c28-22(24-20-6-2-1-3-7-20)18-25-14-16-27(17-15-25)23(29)19-8-10-21(11-9-19)26-12-4-5-13-26/h1-13H,14-18H2,(H,24,28)
InChIKeyBCHDCJMJLRJSCY-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.87
Rot. Bonds5

About N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide

N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 31150749) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide
PubChem CID31150749
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1)Nc1ccccc1
InChIInChI=1S/C23H24N4O2/c28-22(24-20-6-2-1-3-7-20)18-25-14-16-27(17-15-25)23(29)19-8-10-21(11-9-19)26-12-4-5-13-26/h1-13H,14-18H2,(H,24,28)
InChIKeyBCHDCJMJLRJSCY-UHFFFAOYSA-N
XLogP2.87
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151705
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9327985
2-[4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31149940
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 9223614
2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540
1-(azepan-1-yl)-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17401505
2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide
CID 55718532
2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide
CID 9223598
N-phenyl-2-[4-[4-(2,2,2-trifluoroethoxymethyl)benzoyl]piperazin-1-yl]acetamide
CID 31349892

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide (CID 31150749) is N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is BCHDCJMJLRJSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(24-20-6-2-1-3-7-20)18-25-14-16-27(17-15-25)23(29)19-8-10-21(11-9-19)26-12-4-5-13-26/h1-13H,14-18H2,(H,24,28).
What are the key properties of N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide?
N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 31150749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).