1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2-carboxamide

C18H25FN4O2 — CID 87013523

IUPAC1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H25FN4O2/c19-14-3-5-15(6-4-14)21-10-12-23(13-11-21)17(24)7-9-22-8-1-2-16(22)18(20)25/h3-6,16H,1-2,7-13H2,(H2,20,25)
InChIKeyMYBKJNQJDMAEQG-UHFFFAOYSA-N
MW348.42 g/mol
LogP0.81
Rot. Bonds5

About 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2-carboxamide

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2-carboxamide (PubChem CID 87013523) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2-carboxamide
PubChem CID87013523
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H25FN4O2/c19-14-3-5-15(6-4-14)21-10-12-23(13-11-21)17(24)7-9-22-8-1-2-16(22)18(20)25/h3-6,16H,1-2,7-13H2,(H2,20,25)
InChIKeyMYBKJNQJDMAEQG-UHFFFAOYSA-N
XLogP0.81
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2-carboxamide 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

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 75806353
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 60501681
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60500933
1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-2-carboxamide;hydrochloride
CID 120980433
2-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 87029948
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone
CID 110853309
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 111442592
2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 171989374
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
CID 110839307

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2-carboxamide (CID 87013523) is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2-carboxamide?
The InChIKey is MYBKJNQJDMAEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c19-14-3-5-15(6-4-14)21-10-12-23(13-11-21)17(24)7-9-22-8-1-2-16(22)18(20)25/h3-6,16H,1-2,7-13H2,(H2,20,25).
What are the key properties of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2-carboxamide?
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 87013523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).