[4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone

C23H28N4O2 — CID 52987319

IUPAC[4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)C3CC(c4ccccc4)NN3)CC2)cc1
InChIInChI=1S/C23H28N4O2/c1-2-17-8-10-19(11-9-17)22(28)26-12-14-27(15-13-26)23(29)21-16-20(24-25-21)18-6-4-3-5-7-18/h3-11,20-21,24-25H,2,12-16H2,1H3
InChIKeyRICLAMSEUWTZIF-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.14
Rot. Bonds4

About [4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone

[4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone (PubChem CID 52987319) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is [4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone
PubChem CID52987319
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name[4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)C3CC(c4ccccc4)NN3)CC2)cc1
InChIInChI=1S/C23H28N4O2/c1-2-17-8-10-19(11-9-17)22(28)26-12-14-27(15-13-26)23(29)21-16-20(24-25-21)18-6-4-3-5-7-18/h3-11,20-21,24-25H,2,12-16H2,1H3
InChIKeyRICLAMSEUWTZIF-UHFFFAOYSA-N
XLogP2.14
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975159
(5-aminopyrazolidin-3-yl)-(4-benzoylpiperazin-1-yl)methanone
CID 75257960
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 55586130
N-[4-[4-(5-phenylpyrazolidin-3-yl)piperazine-1-carbonyl]phenyl]acetamide
CID 134088257
(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 32770368
N-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide
CID 52989524
[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 75950261
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenylpyrazolidin-3-yl)methanone
CID 78640436
(4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone
CID 32773251

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone?
The IUPAC name of [4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone (CID 52987319) is [4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone.
What is the SMILES notation for [4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone?
The canonical SMILES for [4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone is CCc1ccc(C(=O)N2CCN(C(=O)C3CC(c4ccccc4)NN3)CC2)cc1.
What is the InChIKey of [4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone?
The InChIKey is RICLAMSEUWTZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-2-17-8-10-19(11-9-17)22(28)26-12-14-27(15-13-26)23(29)21-16-20(24-25-21)18-6-4-3-5-7-18/h3-11,20-21,24-25H,2,12-16H2,1H3.
What are the key properties of [4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone?
[4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone has a molecular weight of 392.50 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone is sourced from PubChem (CID 52987319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).