1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone

C16H22N4O2 — CID 52987096

IUPAC1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CC(c3ccccc3)NN2)CC1
InChIInChI=1S/C16H22N4O2/c1-12(21)19-7-9-20(10-8-19)16(22)15-11-14(17-18-15)13-5-3-2-4-6-13/h2-6,14-15,17-18H,7-11H2,1H3
InChIKeyVGMMLKLZXOEEFB-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.28
Rot. Bonds2

About 1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone

1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 52987096) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID52987096
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CC(c3ccccc3)NN2)CC1
InChIInChI=1S/C16H22N4O2/c1-12(21)19-7-9-20(10-8-19)16(22)15-11-14(17-18-15)13-5-3-2-4-6-13/h2-6,14-15,17-18H,7-11H2,1H3
InChIKeyVGMMLKLZXOEEFB-UHFFFAOYSA-N
XLogP0.28
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
[4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone
CID 52987319
1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 76985388
(5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 44509797
[2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]methanone
CID 75355053
(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 133110178
(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 133269656
2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52990007
3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 75605811
N-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide
CID 52989524
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenylpyrazolidin-3-yl)methanone
CID 78640436
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 74487434

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone (CID 52987096) is 1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2CC(c3ccccc3)NN2)CC1.
What is the InChIKey of 1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is VGMMLKLZXOEEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12(21)19-7-9-20(10-8-19)16(22)15-11-14(17-18-15)13-5-3-2-4-6-13/h2-6,14-15,17-18H,7-11H2,1H3.
What are the key properties of 1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone?
1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 302.38 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 52987096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).