N-(4-fluorophenyl)-2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]acetamide

C17H21FN4O3 — CID 9022117

IUPACN-(4-fluorophenyl)-2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)[C@H]2CCC(=O)N2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C17H21FN4O3/c18-12-1-3-13(4-2-12)19-16(24)11-21-7-9-22(10-8-21)17(25)14-5-6-15(23)20-14/h1-4,14H,5-11H2,(H,19,24)(H,20,23)/t14-/m1/s1
InChIKeyHZQYZZPOJHPGNS-CQSZACIVSA-N
MW348.38 g/mol
LogP0.19
Rot. Bonds4

About N-(4-fluorophenyl)-2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]acetamide (PubChem CID 9022117) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
PubChem CID9022117
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC NameN-(4-fluorophenyl)-2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)[C@H]2CCC(=O)N2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C17H21FN4O3/c18-12-1-3-13(4-2-12)19-16(24)11-21-7-9-22(10-8-21)17(25)14-5-6-15(23)20-14/h1-4,14H,5-11H2,(H,19,24)(H,20,23)/t14-/m1/s1
InChIKeyHZQYZZPOJHPGNS-CQSZACIVSA-N
XLogP0.19
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
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2-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]acetamide (CID 9022117) is N-(4-fluorophenyl)-2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)[C@H]2CCC(=O)N2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is HZQYZZPOJHPGNS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21FN4O3/c18-12-1-3-13(4-2-12)19-16(24)11-21-7-9-22(10-8-21)17(25)14-5-6-15(23)20-14/h1-4,14H,5-11H2,(H,19,24)(H,20,23)/t14-/m1/s1.
What are the key properties of N-(4-fluorophenyl)-2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 348.38 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9022117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).