N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide

C19H21N3O2 — CID 174533104

IUPACN-(3-acetylphenyl)-4-piperazin-1-ylbenzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(N3CCNCC3)cc2)c1
InChIInChI=1S/C19H21N3O2/c1-14(23)16-3-2-4-17(13-16)21-19(24)15-5-7-18(8-6-15)22-11-9-20-10-12-22/h2-8,13,20H,9-12H2,1H3,(H,21,24)
InChIKeyJQKYAPUZAZUOBI-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.55
Rot. Bonds4

About N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide

N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide (PubChem CID 174533104) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-piperazin-1-ylbenzamide
PubChem CID174533104
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(3-acetylphenyl)-4-piperazin-1-ylbenzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(N3CCNCC3)cc2)c1
InChIInChI=1S/C19H21N3O2/c1-14(23)16-3-2-4-17(13-16)21-19(24)15-5-7-18(8-6-15)22-11-9-20-10-12-22/h2-8,13,20H,9-12H2,1H3,(H,21,24)
InChIKeyJQKYAPUZAZUOBI-UHFFFAOYSA-N
XLogP2.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzoylphenyl)-4-piperazin-1-ylbenzamide
CID 174547037
ethane;1-(4-piperazin-1-ylphenyl)ethanone
CID 142085748
N-(3-acetylphenyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 4785014
N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide
CID 28749044
2-[4-(4-acetylphenyl)piperazin-1-yl]-5-benzamidobenzoic acid
CID 46362953
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide
CID 67112495
piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate
CID 159731714
N-(3-acetylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228678
N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide
CID 110295195
3-tert-butyl-N-(3-methylphenyl)-5-piperazin-1-ylbenzamide
CID 70645937
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide?
The IUPAC name of N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide (CID 174533104) is N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide?
The canonical SMILES for N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide is CC(=O)c1cccc(NC(=O)c2ccc(N3CCNCC3)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide?
The InChIKey is JQKYAPUZAZUOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14(23)16-3-2-4-17(13-16)21-19(24)15-5-7-18(8-6-15)22-11-9-20-10-12-22/h2-8,13,20H,9-12H2,1H3,(H,21,24).
What are the key properties of N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide?
N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide has a molecular weight of 323.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 174533104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).