4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide

C17H23FN4O2 — CID 127244523

IUPAC4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide
SMILESO=C(NCCN1CCCC1=O)C1CN(c2ccc(F)cc2)CCN1
InChIInChI=1S/C17H23FN4O2/c18-13-3-5-14(6-4-13)22-11-7-19-15(12-22)17(24)20-8-10-21-9-1-2-16(21)23/h3-6,15,19H,1-2,7-12H2,(H,20,24)
InChIKeyGEOCLKRDPDNGGL-UHFFFAOYSA-N
MW334.39 g/mol
LogP0.34
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide

4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide (PubChem CID 127244523) has the molecular formula C17H23FN4O2 and a molecular weight of 334.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide
PubChem CID127244523
Molecular FormulaC17H23FN4O2
Molecular Weight334.39 g/mol
Exact Mass334.18
IUPAC Name4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide
SMILESO=C(NCCN1CCCC1=O)C1CN(c2ccc(F)cc2)CCN1
InChIInChI=1S/C17H23FN4O2/c18-13-3-5-14(6-4-13)22-11-7-19-15(12-22)17(24)20-8-10-21-9-1-2-16(21)23/h3-6,15,19H,1-2,7-12H2,(H,20,24)
InChIKeyGEOCLKRDPDNGGL-UHFFFAOYSA-N
XLogP0.34
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide
CID 125009047
N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086700
N-cyclobutyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086727
4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
CID 110086674
N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide
CID 119262246
N-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 110086678
4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide
CID 110086689
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262243
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119902206
1-(4-fluorophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazole-3-carboxamide
CID 39515050
[4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110086724
N-[2-(2-oxoazepan-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide
CID 52989414

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide (CID 127244523) is 4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide is O=C(NCCN1CCCC1=O)C1CN(c2ccc(F)cc2)CCN1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide?
The InChIKey is GEOCLKRDPDNGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c18-13-3-5-14(6-4-13)22-11-7-19-15(12-22)17(24)20-8-10-21-9-1-2-16(21)23/h3-6,15,19H,1-2,7-12H2,(H,20,24).
What are the key properties of 4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide?
4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide has a molecular weight of 334.39 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide is sourced from PubChem (CID 127244523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).