1-[4-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperazin-1-yl]ethanone

C16H21FN4O2 — CID 134057149

IUPAC1-[4-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CNNC2c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN4O2/c1-11(22)20-6-8-21(9-7-20)16(23)14-10-18-19-15(14)12-2-4-13(17)5-3-12/h2-5,14-15,18-19H,6-10H2,1H3
InChIKeyDYUDWBJJCIIIEV-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.28
Rot. Bonds2

About 1-[4-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 134057149) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-[4-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID134057149
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name1-[4-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CNNC2c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN4O2/c1-11(22)20-6-8-21(9-7-20)16(23)14-10-18-19-15(14)12-2-4-13(17)5-3-12/h2-5,14-15,18-19H,6-10H2,1H3
InChIKeyDYUDWBJJCIIIEV-UHFFFAOYSA-N
XLogP0.28
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperazin-1-yl)-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanone
CID 52978390
azepan-1-yl-[3-(4-chlorophenyl)pyrazolidin-4-yl]methanone
CID 134036153
[3-(4-fluorophenyl)pyrazolidin-4-yl]-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 52986939
4-cyano-N-[1-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperidin-4-yl]benzamide
CID 75270702
[3-(4-chlorophenyl)pyrazolidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 85497779
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide
CID 134057217
[3-(4-fluoroanilino)piperidin-1-yl]-[3-(3-fluorophenyl)pyrazolidin-4-yl]methanone
CID 74809267
3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide
CID 75266820
5-(4-fluorophenyl)-1-methyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 71689611
[3-(3-fluorophenyl)pyrazolidin-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 134067503
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
CID 52986556
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidin-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 52978396

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperazin-1-yl]ethanone (CID 134057149) is 1-[4-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2CNNC2c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is DYUDWBJJCIIIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-11(22)20-6-8-21(9-7-20)16(23)14-10-18-19-15(14)12-2-4-13(17)5-3-12/h2-5,14-15,18-19H,6-10H2,1H3.
What are the key properties of 1-[4-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 320.37 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-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 134057149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).