2-[3-(4-cyclopentylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide

C23H27FN4O3 — CID 92635267

IUPAC2-[3-(4-cyclopentylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1cccc(C(=O)N2CCN(C3CCCC3)CC2)c1=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H27FN4O3/c24-17-7-9-18(10-8-17)25-21(29)16-28-11-3-6-20(23(28)31)22(30)27-14-12-26(13-15-27)19-4-1-2-5-19/h3,6-11,19H,1-2,4-5,12-16H2,(H,25,29)
InChIKeyGSUJTYOFROMCFU-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.33
Rot. Bonds5

About 2-[3-(4-cyclopentylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide

2-[3-(4-cyclopentylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide (PubChem CID 92635267) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 2-[3-(4-cyclopentylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-cyclopentylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
PubChem CID92635267
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name2-[3-(4-cyclopentylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1cccc(C(=O)N2CCN(C3CCCC3)CC2)c1=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H27FN4O3/c24-17-7-9-18(10-8-17)25-21(29)16-28-11-3-6-20(23(28)31)22(30)27-14-12-26(13-15-27)19-4-1-2-5-19/h3,6-11,19H,1-2,4-5,12-16H2,(H,25,29)
InChIKeyGSUJTYOFROMCFU-UHFFFAOYSA-N
XLogP2.33
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide
CID 92635290
1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107975
(4-cyclopentylpiperazin-1-yl)-[2-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]methanone
CID 55761553
N-(4-fluorophenyl)-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide
CID 66399525
N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 27849921
2-[2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 17446727
(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone
CID 60735523
(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone
CID 62368670
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 27849985

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyclopentylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(4-cyclopentylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide (CID 92635267) is 2-[3-(4-cyclopentylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(4-cyclopentylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(4-cyclopentylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide is O=C(Cn1cccc(C(=O)N2CCN(C3CCCC3)CC2)c1=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-cyclopentylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide?
The InChIKey is GSUJTYOFROMCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c24-17-7-9-18(10-8-17)25-21(29)16-28-11-3-6-20(23(28)31)22(30)27-14-12-26(13-15-27)19-4-1-2-5-19/h3,6-11,19H,1-2,4-5,12-16H2,(H,25,29).
What are the key properties of 2-[3-(4-cyclopentylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide?
2-[3-(4-cyclopentylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide has a molecular weight of 426.49 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyclopentylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 92635267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).